Basic information
- CAS
64058-36-2- Standard SMILES
CC(=O)OC(C)C(=O)OC1CCCCC1- InChIKey
PRYGJUVRMNIDAI-UHFFFAOYSA-N- Molecular formula
- C11H18O4
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.12050905
Names & identifiers
- Preferred name
- Lactic acid acetate cyclohexyl ester
- IUPAC
- cyclohexyl 2-acetyloxypropanoate
- English name
- 2-Acetoxypropionic acid cyclohexyl ester
- Molecular formula
- C11H18O4
- Molecular weight
- 214.26
Names & synonyms
DTXSID701338819Lactic acid acetate cyclohexyl esterRefChem:1088322DTXCID601768689Lactic acid, acetate, cyclohexyl ester2-Acetoxypropionic acid cyclohexyl esterBRN 3277946SCHEMBL7061110SCHEMBL7061111NSC406514NSC 406514NSC-406514
Show more names
Propanoic acid, 2-(acetyloxy)-, cyclohexyl ester
DB-313466
Database identifiers
- CAS
64058-36-2- PubChem CID
- 101147
- DTXSID
DTXSID701338819- Nikkaji
- J62.541H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 314.39 °C · 314.39°C (rough estimate)
- Density
- 1.1328 · 1.1328 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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