Basic information
- CAS
926-41-0- Standard SMILES
CC(=O)OCC(C)(C)C- InChIKey
QLNYTCSELYEEPV-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Names & identifiers
- Preferred name
- 2,2-Dimethyl-1-propanol acetate
- IUPAC
- 2,2-dimethylpropyl acetate
- English name
- Neopentylacetate
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18
Names & synonyms
Neopentyl acetate926-41-02,2-DIMETHYL-1-PROPANOL ACETATE297LQ7L2WJNSC-945DTXSID40239059RefChem:1059113DTXCID101615502,2-Dimethylpropyl acetate1-Propanol, 2,2-dimethyl-, acetate2,2-Dimethylpropyl ethanoateNeoamyl acetate
Show more names
Acetic acid neopentyl esterQLNYTCSELYEEPV-UHFFFAOYSA-N1-Propanol, 2,2-dimethyl-, 1-acetateAcetic acid 2,2-dimethylpropyl ester
Neopentyl alcohol, acetateUNII-297LQ7L2WJSCHEMBL697624SCHEMBL697625NSC945SCHEMBL4115382SCHEMBL10361272SCHEMBL10901722
Database identifiers
- CAS
926-41-0- PubChem CID
- 13552
- DTXSID
DTXSID40239059- UNII
- 297LQ7L2WJ
- Nikkaji
- J46.521F
Properties
Computed structural properties
- XLogP
- 1.8
- 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
- 100
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -74.65 °C · -74.65°C (estimate)
- Boiling point
- 140.89 °C · 140.89°C (estimate)
- Density
- 0.8539 · 0.8539
- refractive index
- 1.3927 · 1.3927
- Henry's Law Constant
- 2.6 · 2.6×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 297 LQ7L2WJ · 297LQ7L2WJ
Chemistry & industry
Suppliers3 total
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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