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tert-butyl acetate

solvents
2D:
3D:
CAS Number: 540-88-5
ECHA EC Number: 208-760-7
FDA UNII: 76N22HKP3X
Category: solvents
IUPAC Name: tert-butyl acetate
InChI : InChI=1/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
Std.InChI: InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
InChIKey : WMOVHXAZOJBABW-UHFFFAOYAQ
Std.InChIKey: WMOVHXAZOJBABW-UHFFFAOYSA-N
SMILES : CC(=O)OC(C)(C)C
MDL: MFCD00008807
Molar Refractivity : 31.58 ± 0.3 cm3 (est)
Parachor : 290.6 ± 4.0 cm3 (est)
Index of Refraction : 1.397 ± 0.02 (est)
Surface Tension : 24.1 ± 3.0 dyne/cm (est)
Density : 0.885 ± 0.06 g/cm3 (est)
Polarizability : 12.52 ± 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 "odor"Search
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PubMed:Search
NCBI:Search

Physical Properties:

Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: -62.00 °C. @ 760.00 mm Hg
Boiling Point: 97.00 °C. @ 760.00 mm Hg
Vapor Pressure:47.000000 mmHg @ 25.00 °C.
Flash Point: 72.00 °F. TCC ( 22.22 °C. )
logP (o/w): 1.760
Soluble in:
alcohol
water, 8330 mg/L @ 25 °C (exp)
Insoluble in:
water

Cosmetic Information:

CosIng:cosmetic data
Cosmetic Uses: solvents

Suppliers:

Charkit Chemical
BUTYL ACETATE, TERT-
EMD Millipore
For experimental / research use only.
tert-Butyl Acetate
LyondellBasell Industries
tertiary-Butyl Acetate
Penta International
TERT-BUTYL ACETATE
Santa Cruz Biotechnology
For experimental / research use only.
tert-Butyl Acetate ≥99%
Shiva Chemicals and Pharmaceuticals
Tertiary Butyl Acetate
Sigma-Aldrich: Aldrich
For experimental / research use only.
tert-Butyl Acetate ≥99%
Silver Fern Chemical
tert-Butyl acetate
Odor: characteristic
Use: tert-Butyl Acetate is a colorless, flammable liquid with a camphor or blueberry-like odor. It in insoluble in water, but soluble in alcohol and ether.
TCI AMERICA
For experimental / research use only.
tert-Butyl Acetate >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:
oral-rat LD50 4100 mg/kg
BEHAVIORAL: ATAXIABEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0573684-1

Dermal Toxicity:
skin-rabbit LD50 > 2000 mg/kg
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"KIDNEY, URETER, AND BLADDER: OTHER CHANGES
National Technical Information Service. Vol. OTS0573684-1

Inhalation Toxicity:
inhalation-rat LC50 > 2230 mg/m3/4H
National Technical Information Service. Vol. OTS0573684-1

Safety in Use Information:

Category:
solvents
Recommendation for tert-butyl acetate usage levels up to:
not for fragrance use.
Recommendation for tert-butyl acetate flavor usage levels up to:
not for flavor use.

Safety References:

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):540-88-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10908
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1123
WGK Germany:1
tert-butyl acetate
Chemidplus:0000540885
EPA/NOAA CAMEO:hazardous materials
RTECS:540-88-5

References:

tert-butyl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:540-88-5
Pubchem (cid):10908
Pubchem (sid):134975744

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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.39.9000
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
texaco lead appreciator

Potential Blenders and core components :

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):

not found in nature

Synonyms:

acetic acid 1,1-dimethylethyl ester
acetic acid t-butyl ester
acetic acid tert-butyl ester
acetic acid, 1,1-dimethylethyl ester
acetic acid, tert-butyl ester
T-butyl acetate
tert-butyl ester of acetic acid
tert-butyl ethanoate
tert-butylacetate
1,1-dimethyl acetate
1,1-dimethylethyl acetate
2-methyl-2-propanyl acetate
texaco lead appreciator

Articles:

PubMed:Solvent-tolerance of fungi located on an interface between an agar plate and an organic solvent.
PubMed:Evaluation of the cross section of elongated micelles by static and dynamic light scattering.
PubMed:Bell-shaped extraction device assisted liquid-liquid microextraction technique and its optimization using response-surface methodology.
PubMed:Comparative analysis of tertiary alcohol esterase activity in bacterial strains isolated from enrichment cultures and from screening strain libraries.
PubMed:General method for selective labelling of double-chain cysteine-rich peptides with a lanthanide chelate via solid-phase synthesis.
PubMed:LC50 Determination of tert-Butyl Acetate using a Nose Only Inhalation Exposure in Rats.
PubMed:Nucleophilic addition to 2,3-disubstituted butanal derivatives and their application to natural product synthesis.
PubMed:Iridium-catalyzed alpha-alkylation of acetates with primary alcohols and diols.
PubMed:[H2O2 oxidation of 1,4-dihydropyridines over Mg2+ ion exchanged clinoptilolite and solventless solid state acid decomposition of ester to 3,5-pyridinedicarboxylic acid].
PubMed:An efficient and scalable Ritter reaction for the synthesis of tert-butyl amides.
PubMed:Oxidation in three-liquid-phase microemulsion systems using "Balanced Catalytic Surfactants".
PubMed:Amphiphilic hyperbranched fluoropolymers as nanoscopic 19F magnetic resonance imaging agent assemblies.
PubMed:Palladium-catalyzed alpha-arylation of esters with chloroarenes.
PubMed:Effects of tert-butyl acetate on maternal toxicity and embryo-fetal development in Sprague-Dawley rats.
PubMed:Asymmetric synthesis of orthogonally protected trans-cyclopropane gamma-amino acids via intramolecular ring closure.
PubMed:Synthesis of 2H-1,2-benzothiazine 1,1-dioxides via heteroannulation reactions of 2-iodobenzenesulfonamide with ketone enolates under S(RN)1 conditions.
PubMed:Palladium-catalyzed alpha-arylation of esters and amides under more neutral conditions.
PubMed:Synthesis of jenamidines A1/A2.
PubMed:Interfacial reactions in confinement: kinetics and temperature dependence of the surface hydrolysis of polystyrene-block-poly(tert-butyl acrylate) thin films.
PubMed:The mutagenicity testing of tertiary-butyl alcohol, tertiary-butyl acetate and methyl tertiary-butyl ether in Salmonella typhimurium.
PubMed:Acute toxicity and cancer risk assessment values for tert-butyl acetate.
PubMed:Development of new synthetic methods with aryl 1-chlorovinyl sulfoxides.
PubMed:Fluorogenic stereochemical probes for transaldolases.
PubMed:Efficient synthesis of alpha-aryl esters by room-temperature palladium-catalyzed coupling of aryl halides with ester enolates.
PubMed:Polymorphic behavior of an NK1 receptor antagonist.
PubMed:Extremely stable and versatile carboxylesterase from a hyperthermophilic archaeon.
PubMed:Tailoring fatty food simulants made from solvent mixtures (2): determining the equivalent migration behaviour of olive oil and of solvents in the case of polyolefins.
PubMed:Antimicrobial and bactericidal activities of esters of 2-endo-hydroxy-1,8-cineole as new aroma chemicals.
PubMed:Tailoring fatty food simulants made from solvent mixtures (1): comparison of methanol, ethanol and isopropanol behaviour with polystyrene.
PubMed:Syntheses of stereochemically restricted lactone-type analogues of jasmonic acids.
PubMed:Application of tryptamine as a derivatizing agent for the determination of airborne isocyanates. Part 7. Selection of impinger solvents and the evaluation against dimethyl sulfoxide used in US NIOSH Regulatory Method 5522.
PubMed:Food and packaging interactions: tailoring fatty food simulants.
PubMed:Inhaled tert-butyl acetate and its metabolite tert-butyl alcohol accumulate in the blood during exposure.
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