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(±)-dioctyl sebacate

solvents/deluents for cosmetic, flavor and/or fragrance agents
2D:
3D:
CAS Number: 122-62-3
ECHA EC Number: 204-558-8
FDA UNII: U9LS47Q72Q
Category: solvents/deluents for cosmetic, flavor and/or fragrance agents
IUPAC Name: (±)-dioctyl sebacate
InChI : InChI=1/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3
Std.InChI: InChI=1S/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3
InChIKey : VJHINFRRDQUWOJ-UHFFFAOYAA
Std.InChIKey: VJHINFRRDQUWOJ-UHFFFAOYSA-N
SMILES : CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC
MDL: MFCD00009497
Molar Refractivity : 125.97 ± 0.3 cm3 (est)
Parachor : 1110.7 ± 4.0 cm3 (est)
Index of Refraction : 1.453 ± 0.02 (est)
Surface Tension : 32.4 ± 3.0 dyne/cm (est)
Density : 0.916 ± 0.06 g/cm3 (est)
Polarizability : 49.93 ± 0.5 10-24cm3 (est)

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

Google Scholar:Search
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Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FDA Mainterm (IAUFC):122-62-3 ; DI(2-ETHYLHEXYL) SEBACATE

Physical Properties:

Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.91400 @ 25.00 °C.
Refractive Index:1.45100 @ 20.00 °C.
Boiling Point: 435.00 to 436.00 °C. @ 760.00 mm Hg
Boiling Point: 112.00 °C. @ 1.00 mm Hg
Flash Point: 373.00 °F. TCC ( 189.44 °C. )
logP (o/w): 9.722 (est)
Soluble in:
alcohol
water, 5.149e-006 mg/L @ 25 °C (est)
Insoluble in:
water

Cosmetic Information:

CosIng:cosmetic data
Cosmetic Uses: film formers
fragrance
plasticisers
skin conditioning - emollient
solvents

Suppliers:

Acme-Hardesty
Dioctyl Sebacate
Odor: characteristic
Use: Thickening Agent, Plasticizer.
Allan Chemical
Dioctyl Sebacate
BOC Sciences
For experimental / research use only.
Diisooctyl sebacate >96.0%(GC)
HallStar
HALLSTAR® DOS
Odor: characteristic
Use: HallStar DOS is a multifunctional (nonoily emollient, solvent, lubricant, plasticizer), synthetically produced diester of 2-Ethylhexanol and castor-derived Sebacic Acid. Its common chemical name is Dioctyl Sebacate. It is has a non-oily, silky skin feel and spreads easily. It is hydro-alcoholic compatible, can improve the spreading of oil blends, is an effective pigment wetter/dispersant ,and has a detackifying effect in certain compositions. HallStar DOS finds application in antiperspirant/deodorants, hairsprays and other hair grooming aids, aftershave lotions, tonics and other skin fresheners, makeup, sunscreens, and skin care lotions and creams.
Inoue Perfumery
DIOCTYL SEBACATE
Penta International
DIOCTYL SEBACATE
Sigma-Aldrich
For experimental / research use only.
Bis(2-ethylhexyl) sebacate Selectophore™, ≥97.0%
Stearinerie Dubois
DUB GREEN DOS
SysKem Chemie
Dioctyl Sebacate
TCI AMERICA
For experimental / research use only.
Bis(2-ethylhexyl) Sebacate >98.0%(GC)

Safety Information:

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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:
oral-mouse LD50 9500 mg/kg
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 62, 1982.

intravenous-rabbit LD50 540 mg/kg
U.S. Army, Chemical Corps Medical Laboratories Research Reports. Vol. #256, Pg. 1954

intravenous-rat LD50 900 mg/kg
U.S. Army, Chemical Corps Medical Laboratories Research Reports. Vol. #256, Pg. 1954

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
solvents/deluents for cosmetic, flavor and/or fragrance agents
Recommendation for (±)-dioctyl sebacate usage levels up to:
not for fragrance use.
Recommendation for (±)-dioctyl sebacate flavor usage levels up to:
not for flavor use.

Safety References:

EPI System: View
Daily Med:search
NIOSH International Chemical Safety Cards:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):122-62-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31218
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:nwg
bis(2-ethylhexyl) decanedioate
Chemidplus:0000122623
EPA/NOAA CAMEO:hazardous materials
RTECS:122-62-3

References:

bis(2-ethylhexyl) decanedioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:122-62-3
Pubchem (cid):31218
Pubchem (sid):134973892

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 Indirect Additives used in Food Contact Substances:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2917.19.7050
ChemSpider:View
Wikipedia:View

Potential Blenders and core components :

None Found

Potential Uses:

emollients
film formers
plasticisers
solvents

Occurrence (nature, food, other):

not found in nature

Synonyms:

bisoflex
bisoflex DOS
decane dioic acid bis(2-ethyl hexyl) ester
decanedioic acid bis(2-ethylhexyl) ester
decanedioic acid di(2-ethylhexyl) ester
decanedioic acid, bis(2-ethylhexyl) ester
di-2-ethylhexyl sebacate
di(2-ethyl hexyl) sebacate
di(2-ethylhexyl) sebacate
di(2-ethylhexyl)sebacate
di2-ethylhexyl decane-1,10-dioate
diethyl hexyl sebacate
diethylhexyl sebacate
dioctyl sebacate
dub green DOS
edenol 888
edenor dehs
ergoplast SDO
bis(2-ethyl hexyl) decane dioate
(±)-bis(2-ethyl hexyl) sebacate
2-ethylhexyl sebacate
bis(2-ethylhexyl) decanedioate
(±)-bis(2-ethylhexyl) sebacate
bis(ethylhexyl) sebacate
bis(2-ethylhexyl) sebacate
hallstar DOS
monoplex DOS
octoil S
plexol
plexol 201
plexol 201J
ransocizer DOS
reolube DOS
reomol DDS
sansocizer DOS
sebacic acid bis(2-ethyl hexyl) ester
sebacic acid bis(2-ethylhexyl) ester
sebacic acid di(2-ethylhexyl) ester
sebacic acid, bis(2-ethylhexyl) ester
sebacic acid, bis(2-ethylhexyl) ester (8CI)
sebacic acid, bis(2-ethylhexyl)ester
sebacic acid, di-2-ethylhexyl diester
staflex DOS
uniflex DOS
uniplex DOS

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PubMed:Corrosion behaviour of tinplate cans in contact with tomato purée and protective (inhibiting) substances.
PubMed:A hybrid chip based on aerodynamics and electrostatics for the size-dependent classification of ultrafine and nano particles.
PubMed:Influence of essential onion oil on tin and chromium dissolution from tinplate.
PubMed:The simulator for icy world interiors: a 700 MPa pressure system for impulsive stimulated scattering and other optical measurements, with thermal control from -20 to 100 degrees C.
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PubMed:Integrated particle detection chip for environmental monitoring.
PubMed:Two-phase partitioning bioreactor for the biodegradation of high concentrations of pentachlorophenol using Sphingobium chlorophenolicum DSM 8671.
PubMed:High-throughput phase-distribution method to determine drug-cyclodextrin binding constants.
PubMed:Kinetics and products from reaction of Cl radicals with dioctyl sebacate (DOS) particles in O(2): a model for radical-initiated oxidation of organic aerosols.
PubMed:Laboratory and field evaluation of crystallized DOW 704 oil on the performance of the Well Impactor Ninety-Six fFine particulate matter fractionator.
PubMed:High-throughput method for lipophilicity measurement.
PubMed:Water-based condensation particle counters for environmental monitoring of ultrafine particles.
PubMed:Gibbs energies of transfer of alkali metal cations between mutually saturated water-solvent systems determined from extraction experiments with radiotracer 137Cs.
PubMed:An experimental study of membrane materials and inner contacting layers for ion-selective K+ electrodes with a stable response and good dynamic range.
PubMed:Effect of polymer concentration on partitioning and molecular recognition in plasticized poly(vinyl chloride).
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PubMed:Simple Model of Aerosol Particle Formation by the Evaporation-Condensation Method.
PubMed:Determination of complex formation constants of lipophilic neutral ionophores in solvent polymeric membranes with segmented sandwich membranes.
PubMed:A chronoamperometric method to estimate ionophore loss from ion-selective electrode membranes.
PubMed:Comparative study of challenge aerosols for performance test for dust respirators.
PubMed:Plasticizer-level study of poly(vinyl chloride) ion-selective membranes.
PubMed:Evaluation of an ammonium ionophore for use in poly(vinyl chloride) membrane ion-selective electrodes: solvent mediator effects.
PubMed:Electrochemical sensor for heparin: further characterization and bioanalytical applications.
PubMed:Experiments supporting the use of ambient aerosols for quantitative respirator fit testing.
PubMed:Construction and evaluation of a potassium-selective tube-mounted membrane electrode.
PubMed:Aerosol deposition and airway obstruction.
PubMed:DETERMINATION OF STEAM-VOLATILE ORGANIC ACIDS IN FERMENTATION MEDIA BY GAS-LIQUID CHROMATOGRAPHY.
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