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2-ethyl hexyl benzoate

solvents/deluents for cosmetic, flavor and/or fragrance agents
2D:
3D:
CAS Number: 5444-75-7
ECHA EC Number: 226-641-8
FDA UNII: R63ZWW1A13
Category: solvents/deluents for cosmetic, flavor and/or fragrance agents
IUPAC Name: 2-ethyl hexyl benzoate
InChI : InChI=1/C15H22O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
Std.InChI: InChI=1S/C15H22O2/c1-3-5-9-13(4-2)12-17-15(16)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
InChIKey : UADWUILHKRXHMM-UHFFFAOYAB
Std.InChIKey: UADWUILHKRXHMM-UHFFFAOYSA-N
SMILES : CCCCC(CC)COC(=O)C1=CC=CC=C1
MDL: MFCD00072620
Molar Refractivity : 70.41 ± 0.3 cm3 (est)
Parachor : 587.9 ± 4.0 cm3 (est)
Index of Refraction : 1.490 ± 0.02 (est)
Surface Tension : 34.1 ± 3.0 dyne/cm (est)
Density : 0.963 ± 0.06 g/cm3 (est)
Polarizability : 27.91 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:2068 2-ethylhexyl benzoate
FEMA Number:4630 2-ethylhexyl benzoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):5444-75-7 ; 2-ETHYLHEXYL BENZOATE

Physical Properties:

Appearance:colorless clear oily liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96300 to 0.97300 @ 20.00 °C.
Pounds per Gallon - (est).: 8.022 to 8.106
Refractive Index:1.48700 to 1.49700 @ 20.00 °C.
Boiling Point: 312.00 to 314.00 °C. @ 760.00 mm Hg
Boiling Point: 170.00 °C. @ 20.00 mm Hg
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 269.00 °F. TCC ( 131.67 °C. )
logP (o/w): 5.535 (est)
Soluble in:
alcohol
water, 1.061 mg/L @ 25 °C (est)

Organoleptic Properties:

ethereal

Cosmetic Information:

CosIng:cosmetic data
Cosmetic Uses: skin conditioning
skin conditioning - emollient
solvents

Suppliers:

Axsyn
For experimental / research use only.
Benzoic acid,2-ethylhexyl ester
BOC Sciences
For experimental / research use only.
2-Ethylhexyl Benzoate 95%
Parchem
2-ethylhexyl benzoate
Penta International
2-ETHYLHEXYL BENZOATE
Santa Cruz Biotechnology
For experimental / research use only.
2-Ethylhexyl Benzoate
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Ethylhexyl Benzoate
TCI AMERICA
For experimental / research use only.
2-Ethylhexyl Benzoate >99.0%(GC)

Safety Information:

Preferred SDS: View
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
solvents/deluents for cosmetic, flavor and/or fragrance agents
Recommendation for 2-ethyl hexyl benzoate usage levels up to:
not for fragrance use.
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 24
Click here to view publication 24
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.010000.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.010000.20000
fruit ices: --
gelatins / puddings: 0.020000.50000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety References:

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):5444-75-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :94310
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-ethylhexyl benzoate
Chemidplus:0005444757

References:

2-ethylhexyl benzoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5444-75-7
Pubchem (cid):94310
Pubchem (sid):135050982

Other Information:

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2916.31.5000
FDA Listing of Food Additive Status:View
ChemSpider:View
FAO:2-Ethylhexyl benzoate

Potential Blenders and core components :

None Found

Potential Uses:

emollients
skin conditioning
solvents

Occurrence (nature, food, other):

not found in nature

Synonyms:

benzoic acid 2-ethyl hexyl ester
benzoic acid 2-ethylhexyl ester
benzoic acid, 2-ethylhexyl ester
benzoic acid,2-ethylhexyl ester
2-ethyl-1-hexanol benzoate
2-ethylhexyl benzoate
2-octyl benzoate
velate 368

Articles:

PubMed:New Cholinesterase Inhibitory Constituents from Lonicera quinquelocularis.
PubMed:Ultrasound: a subexploited tool for sample preparation in metabolomics.
PubMed:In vitro endocrine disruption and TCDD-like effects of three novel brominated flame retardants: TBPH, TBB, & TBCO.
PubMed:[Chemical constituents of Salvia chinensis].
PubMed:Phthalate metabolites in obese individuals undergoing weight loss: Urinary levels and estimation of the phthalates daily intake.
PubMed:In vivo and in vitro evaluation of the use of a newly developed melatonin loaded emulsion combined with UV filters as a protective agent against skin irradiation.
PubMed:Rodent thyroid, liver, and fetal testis toxicity of the monoester metabolite of bis-(2-ethylhexyl) tetrabromophthalate (tbph), a novel brominated flame retardant present in indoor dust.
PubMed:Influence of penetration enhancer on drug permeation from volatile formulations.
PubMed:Species specific differences in the in vitro metabolism of the flame retardant mixture, Firemaster® BZ-54.
PubMed:Formation of drug/surfactant catanionic vesicles and their application in sustained drug release.
PubMed:Novel flame retardants in urban-feeding ring-billed gulls from the St. Lawrence River, Canada.
PubMed:Determination of selected organic contaminants in soil by pressurized liquid extraction and gas chromatography tandem mass spectrometry with in situ derivatization.
PubMed:Sunscreens: are they beneficial for health? An overview of endocrine disrupting properties of UV-filters.
PubMed:In vitro metabolism of the brominated flame retardants 2-ethylhexyl-2,3,4,5-tetrabromobenzoate (TBB) and bis(2-ethylhexyl) 2,3,4,5-tetrabromophthalate (TBPH) in human and rat tissues.
PubMed:Endocrine disruptors and asthma-associated chemicals in consumer products.
PubMed:Brominated flame retardants and dechlorane plus in the marine atmosphere from Southeast Asia toward Antarctica.
PubMed:Lipase-catalyzed synthesis of structured phenolic lipids in solvent-free system using flaxseed oil and selected phenolic acids as substrates.
PubMed:Toxicological evaluation of three contaminants of emerging concern by use of the Allium cepa test.
PubMed:Analysis of UV filters in tap water and other clean waters in Spain.
PubMed:2-Ethylhexyl tetrabromobenzoate and bis(2-ethylhexyl) tetrabromophthalate flame retardants in the Great Lakes atmosphere.
PubMed:Effect of ultraviolet filters on skin superoxide dismutase activity in hairless mice after a single dose of ultraviolet radiation.
PubMed:Bioaccumulation assessment of the sunscreen agent 2-ethylhexyl 4-(N,N-dimethylamino)benzoate in human semen by automated online SPE-LC-MS/MS.
PubMed:Stimuli responsive poly(1-[11-acryloylundecyl]-3-methyl-imidazolium bromide): dewetting and nanoparticle condensation phenomena.
PubMed:Targeting metabolomics analysis of the sunscreen agent 2-ethylhexyl 4-(N,N-dimethylamino)benzoate in human urine by automated on-line solid-phase extraction-liquid chromatography-tandem mass spectrometry with liquid chromatography-time-of-flight/mass spectrometry confirmation.
PubMed:A review of alternatives to di (2-ethylhexyl) phthalate-containing medical devices in the neonatal intensive care unit.
PubMed:[Studies on the chemical constituents from pine needles of Cedrus deodara (II)].
PubMed:Dispersive liquid-liquid microextraction followed by gas chromatography-mass spectrometry for the rapid and sensitive determination of UV filters in environmental water samples.
PubMed:Simultaneous determination of UV filters and polycyclic musks in aqueous samples by solid-phase microextraction and gas chromatography-mass spectrometry.
PubMed:Allergic contact dermatitis from ethylhexyl salicylate and other salicylates.
PubMed:Mixture effects of endocrine disrupting compounds in vitro.
PubMed:Identification of the Biotransformation Products of 2-Ethylhexyl 4-(N,N-Dimethylamino)benzoate.
PubMed:Comment on "Photodegradation pathways of nonabrominated diphenyl ethers, 2-ethylhexyltetrabromobenzoate and di(2-ethylhexyl)tetrabromophthalate: identifying potential markers of photodegradation".
PubMed:Determination of low-level ink photoinitiator residues in packaged milk by solid-phase extraction and LC-ESI/MS/MS using triple-quadrupole mass analyzer.
PubMed:Photostability and phytotoxicity of selected sunscreen agents and their degradation mixtures in water.
PubMed:Photodegradation pathways of nonabrominated diphenyl ethers, 2-ethylhexyltetrabromobenzoate and di(2-ethylhexyl)tetrabromophthalate: identifying potential markers of photodegradation.
PubMed:Inhibitory effects of Ephedra major Host on Aspergillus parasiticus growth and aflatoxin production.
PubMed:Determination of selected UV filters in indoor dust by matrix solid-phase dispersion and gas chromatography-tandem mass spectrometry.
PubMed:In vitro evaluation of the cutaneous penetration of sprayable sunscreen emulsions with high concentrations of UV filters.
PubMed:A simple novel configuration for in-vial microporous membrane liquid-liquid extraction.
PubMed:Exposure to bisphenol A and other phenols in neonatal intensive care unit premature infants.
PubMed:Determination of 2-ethylhexyl 4-(dimethylamino) benzoate using membrane-assisted liquid-liquid extraction and gas chromatography-mass spectrometric detection.
PubMed:Sensitive determination of salicylate and benzophenone type UV filters in water samples using solid-phase microextraction, derivatization and gas chromatography tandem mass spectrometry.
PubMed:[Secondary metabolites of a marine actinomycete Streptomyces sp. (No. 195-02) from South China Sea].
PubMed:Molecular modelling of phthalates - PPARs interactions.
PubMed:Simultaneous trace determination of nine organic UV-absorbing compounds (UV filters) in environmental samples.
PubMed:Determination of tris(2-ethylhexyl)trimellitate released from PVC tube by LC-MS/MS.
PubMed:Dosage de l'octyl dimethyl PABA, de l'homosalate et de l'octyl salicylate dans les produits de protection solaire.
PubMed:Occurrence of N-nitrosodiethanolamine (NDELA) in cosmetics from the Dutch market.
PubMed:Eco-friendly methodologies for the synthesis of some aromatic esters, well-known cosmetic ingredients.
PubMed:Determination of ink photoinitiators in packaged beverages by gas chromatography-mass spectrometry and liquid chromatography-mass spectrometry.
PubMed:Selective uranyl ion detection by polymeric ion-selective electrodes based on salphenH2 derivatives.
PubMed:Occurrence and degradation characteristics of dibutyl phthalate (DBP) and di-(2-ethylhexyl) phthalate (DEHP) in typical agricultural soils of China.
PubMed:Study of some UV filters stability in chlorinated water and identification of halogenated by-products by gas chromatography-mass spectrometry.
PubMed:Fragrance material review on ethyl hexyl salicylate.
PubMed:Fragrance material review on trans-2-hexenyl salicylate.
PubMed:Fluorescence dynamics of three UV-B sunscreens.
PubMed:Determination of 2-isopropyl thioxanthone and 2-ethylhexyl-4-dimethylaminobenzoate in milk: comparison of gas and liquid chromatography with mass spectrometry.
PubMed:[Simultaneous determination of phthalates and parabens in cosmetic products by gas chromatography/mass spectrometry coupled with solid phase extraction].
PubMed:Simultaneous determination of seven phthalates and four parabens in cosmetic products using HPLC-DAD and GC-MS methods.
PubMed:Octyl salicylate: a new contact sensitivity.
PubMed:Simultaneous determination of natural and synthetic estrogens by EKC using a novel microemulsion.
PubMed:A new method to test the effectiveness of sunscreen ingredients in a novel nano-surface skin cell mimic.
PubMed:Allergic contact dermatitis from octisalate and cis-3-hexenyl salicylate.
PubMed:[Analysis of phthalates in plastic food-packaging bags by thin layer chromatography].
PubMed:Evaluation of the photostability of different UV filter combinations in a sunscreen.
PubMed:Delayed effects on plasma concentration of testosterone and testicular morphology by intramuscular low-dose di(2-ethylhexyl)phthalate or oestradiol benzoate in the prepubertal boar.
PubMed:[Estrogenic activity of ultraviolet absorbers and the related compounds].
PubMed:Estrogenic activity of 37 components of commercial sunscreen lotions evaluated by in vitro assays.
PubMed:Evaluation of the direct toxicity of trioctyltrimellitate (TOTM), di(2-ethylhexyl) phthalate (DEHP) and their hydrolysis products on isolated rat hepatocytes.
PubMed:Increasing hemoglobin oxygen saturation levels in sickle trait donor whole blood prevents hemoglobin S polymerization and allows effective white blood cell reduction by filtration.
PubMed:Optical spectroscopy of hydrophobic sunscreen molecules adsorbed to dielectric nanospheres.
PubMed:The effects of phthalate esters on the tryptophan-niacin metabolism.
PubMed:Medications as a source of human exposure to phthalates.
PubMed:Removal of ionic dyes from water by solvent extraction using reverse micelles.
PubMed:Exposure of mouse skin to organic peroxides: subchronic effects related to carcinogenic potential.
PubMed:Biodegradation of plasticizers by Rhodotorula rubra.
PubMed:Molecular markers of anthropogenic activity in sediments of the Havel and Spree Rivers (Germany).
PubMed:Estrogenic activity of tissue conditioners in vitro.
PubMed:Lack of sensitization for trimellitate, phthalate, terephthalate and isobutyrate plasticizers in a human repeated insult patch test.
PubMed:[Determination of 4 antiseptics and 6 sunscreen agents in cosmetic products by reversed-phase high performance liquid chromatography].
PubMed:Antioxidant properties of ferulic acid and its related compounds.
PubMed:The effect of UV absorbing sunscreens on the reflectance and the consequent protection of skin.
PubMed:Interaction of UVB-absorbing sunscreen ingredients with cutaneous molecules may alter photoimmune protection.
PubMed:Comparative study of the leachability of di(2-ethylhexyl) phthalate and tri(2-ethylhexyl) trimellitate from haemodialysis tubing.
PubMed:There is no influence of a temperature rise on in vivo adsorption of UV filters into the stratum corneum.
PubMed:Polyvinyl chloride-based membranes for flow injection analysis of quinine in beverages.
PubMed:Photosensitization of the sunscreen octyl p-dimethylaminobenzoate by UVA in human melanocytes but not in keratinocytes.
PubMed:Inclusion complexation of the sunscreen agent 2-ethylhexyl-p-dimethylaminobenzoate with hydroxypropyl-beta-cyclodextrin: effect on photostability.
PubMed:Illumination of human keratinocytes in the presence of the sunscreen ingredient Padimate-O and through an SPF-15 sunscreen reduces direct photodamage to DNA but increases strand breaks.
PubMed:Prevention of DNA photodamage by vitamin E compounds and sunscreens: roles of ultraviolet absorbance and cellular uptake.
PubMed:Leached components from dental composites in oral simulating fluids and the resultant composite strengths.
PubMed:Enhanced skin permeation of sex hormones with novel topical spray vehicles.
PubMed:Percutaneous penetration of octyl salicylate from representative sunscreen formulations through human skin in vitro.
PubMed:Contact sensitization to sunscreens.
PubMed:Inhibition of UVB induced DNA photodamage in mouse epidermis by topically applied alpha-tocopherol.
PubMed:Percutaneous absorption of sunscreen agents from liquid paraffin: self-association of octyl salicylate and effects on skin flux.
PubMed:[The degradation of plasticizers by Rhodococcus erythropolis 40F].
PubMed:Metabolic efficiency and turnover of soil microbial communities in biodegradation tests.
PubMed:High-performance liquid chromatographic assay for common sunscreening agents in cosmetic products, bovine serum albumin solution and human plasma.
PubMed:Priming effect of substrate addition in soil-based biodegradation tests.
PubMed:Photochemical formation of singlet molecular oxygen in illuminated aqueous solutions of several commercially available sunscreen active ingredients.
PubMed:Anaerobic degradation of xenobiotics by organisms from municipal solid waste under landfilling conditions.
PubMed:Determination of 2-ethylhexyl 4-(N-methyl-N-nitrosamino) benzoate in commercial sunscreens and cosmetic products.
PubMed:Sunscreen protection of contact hypersensitivity responses from chronic solar-simulated ultraviolet irradiation correlates with the absorption spectrum of the sunscreen.
PubMed:Protective activity of hamamelitannin on cell damage of murine skin fibroblasts induced by UVB irradiation.
PubMed:Differential photoimmunoprotection by sunscreen ingredients is unrelated to epidermal cis urocanic acid formation in hairless mice.
PubMed:Characteristics of white cell-reduced red cells stored in tri-(2-ethylhexyl)trimellitate plastic.
PubMed:Effect of sunscreens on UV radiation-induced enhancement of melanoma growth in mice.
PubMed:Regulation of xanthine dehydrogenase in rat liver in response to peroxisome proliferators.
PubMed:Involvement of calmodulin- and protein kinase C-related mechanism in an induction process of peroxisomal fatty acid oxidation-related enzymes by hypolipidemic peroxisome proliferators.
PubMed:Evaluation of the mutagenicity of an N-nitroso contaminant of the sunscreen Padimate O: N-nitroso-N-methyl-p-aminobenzoic acid, 2-ethylhexyl ester (NPABAO).
PubMed:Differential protection by two sunscreens from UV radiation-induced immunosuppression.
PubMed:Quantitation of the nitrosamine 2-ethylhexyl-4-(N-methyl-N-nitrosoamino) benzoate (NPABAO) in sunscreen products.
PubMed:Induction of short-term markers of tumor promotion by organic peroxides.
PubMed:Lack of induction of hepatic DNA damage on long-term administration of peroxisome proliferators in male F-344 rats.
PubMed:Nitrosation of tertiary aromatic amines related to sunscreen ingredients.
PubMed:Leaching of plasticizers from and surface characterization of PVC blood platelet bags.
PubMed:Long-term effects of peroxisome proliferators on the balance between hydrogen peroxide-generating and scavenging capacities in the liver of Fischer-344 rats.
PubMed:PABA, benzocaine, and other PABA esters in sunscreens and after-sun products.
PubMed:Hepatic studies of intraperitoneally administered tris(2-ethyl hexyl)trimellitate (TOTM) and di(2-ethyl hexyl)phthalate in rats.
PubMed:Influence of plasticised poly(vinyl chloride) on platelet adhesion and platelet aggregates.
PubMed:A response to concerns about sunscreens: a report from the Skin Cancer Foundation.
PubMed:Storage of platelets in earth orbit. Effect of gravity and the formulation of plastic storage containers on platelet IgG and C3.
PubMed:Measurements of the photodegradation of PABA and some PABA derivatives.
PubMed:Leachability of a new plasticizer tri-(2-ethylhexyl)-trimellitate from haemodialysis tubing.
PubMed:Percutaneous absorption of hydroquinone in humans: effect of 1-dodecylazacycloheptan-2-one (azone) and the 2-ethylhexyl ester of 4-(dimethylamino)benzoic acid (Escalol 507).
PubMed:Effects of autoclave sterilization on the physical properties of storage bags and granulocyte function.
PubMed:Storage of platelets on flatbed agitators in polyvinyl chloride blood bags plasticized with tri(2-ethylhexyl) trimellitate.
PubMed:Results of peroxisome induction studies on tri(2-ethylhexyl)trimellitate and 2-ethylhexanol.
PubMed:Effects of plasticizers and plastic bags on granulocyte function during storage.
PubMed:Tissue distribution and excretion of tri-(2-ethylhexyl)trimellitate in rats.
PubMed:Survival of red cells stored for 21 and 35 days in a non-di-(2-ethylhexyl)phthalate plastic container.
PubMed:Storage of platelet concentrates--an in vitro study of four types of plastic packs.
PubMed:Effect of immunosuppressive agents and sunscreens on UV carcinogenesis in the hairless mouse.
PubMed:Extended storage of platelets in a new plastic container. I. Biochemical and morphologic changes.
PubMed:Occurrence of para-aminobenzoic acid and benzocaine as contaminants in sunscreen agents of para-aminobenzoic acid type.
PubMed:Cements containing syringic acid esters -- o-ethoxybenzoic acid and zinc oxide.
PubMed:Kinetics and extent of mineralization of organic chemicals at trace levels in freshwater and sewage.
PubMed:Rates of mineralization of trace concentrations of aromatic compounds in lake water and sewage samples.
PubMed:Observations on the mechanism of the protective action of sunscreens.
PubMed:Survival of transfused platelets collected into new formulation plastic packs.
PubMed:Chronic oral toxicity of di-(2-ethylhexyl) phthalate of rats, guinea pigs, and dogs.
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