Basic information
- CAS
625-16-1- Standard SMILES
CCC(C)(C)OC(C)=O- InChIKey
JCCIFDCPHCKATH-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Overview
Tert-amyl acetate is a colorless to yellow watery liquid with a weak odor of bananas. Floats on water. Produces irritating vapor. (USCG, 1999)
Names & identifiers
- Preferred name
- 2-Methyl-2-butanol acetate
- IUPAC
- 2-methylbutan-2-yl acetate
- English name
- T-PENTYL ACETATE
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18
Names & synonyms
tert-Amyl acetate2-Butanol, 2-methyl-, acetate2-Methyl-2-butanol acetatetertAmyl acetatetertPentyl acetateRefChem:4751611,1Dimethylpropyl acetate2Butanol, 2methyl, acetate809-420-62-methylbutan-2-yl acetate625-16-1T-PENTYL ACETATE
Show more names
TERT-AMYLACETATEtertiary amyl acetateCH3C(O)OC(CH3)2CH2CH31,1-DIMETHYLPROPYLACETATEAcetic acid tert-amyl ester
t-Pentylacetate1,1-Dimethylpropyl acetatetert-Pentyl Alcohol, acetatetert-Pentyl Acetateacetic acid tert-pentyl estert-amyl acetatetert-Amyl ethanoateSCHEMBL66104
Database identifiers
- CAS
625-16-1- PubChem CID
- 12238
- DTXSID
DTXSID80978091- EC Number
- 809-420-6
- Nikkaji
- J95.659G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesDensity
Density0.874 at 66.2 °F (USCG, 1999) - Less dense than water; will float
Flash Point
79 °F (est) (USCG, 1999)
79 °F
Boiling Point256.5 °F at 760 mmHg (USCG, 1999)
Melting Pointgreater than -148 °F (USCG, 1999)
Vapor Pressure12.1 [mmHg]
Physical Description
Tert-amyl acetate is a colorless to yellow watery liquid with a weak odor of bananas. Floats on water. Produces irritating vapor. (USCG, 1999)
Colorless to yellow liquid with a weak odor of bananas; [CAMEO]
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire HazardsSpecial Hazards of Combustion Products: When heated emits acrid fumes.
Health Hazards
INHALATION AND INGESTION: Irritates the mucous membrane, depresses the central nervous system and is narcotic. Damage to kidney, liver, and lung can occur. Ingestion may irritate gastro-intestinal tract. EYES: Irritation. SKIN: Irritation. (USCG, 1999)
Hazards Summary
A skin, eye, and respiratory tract irritant; Inhalation of high concentrations can cause CNS depression; May cause damage to liver, kidneys, and lungs; [CAMEO] The pentyl acetates are sensory irritants in the work environment. At higher levels in animal experiments, they cause narcosis, hepatotoxicity, and developmental toxicity. [ACGIH]
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity AlertsHighly Flammable
Reactivity Profile
Chemistry & industry
Applications
General DescriptionColorless to yellow watery liquid with a weak odor of bananas. Floats on water. Produces irritating vapor.
Suppliers7 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
3 records
Compound notes
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