Basic information
- CAS
1851-86-1- Standard SMILES
CC(=O)OCCC(C)O- InChIKey
KLUHZXMBIDAHSJ-UHFFFAOYSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Names & identifiers
- Preferred name
- 3-Hydroxybutyl acetate
- IUPAC
- 3-hydroxybutyl acetate
- English name
- 3-hydroxybutyl acetate
- Molecular formula
- C6H12O3
- Molecular weight
- 132.15768
Names & synonyms
3-Hydroxybutyl acetate1851-86-1EINECS 217-439-0DTXSID40939926RefChem:94269DTXCID301368408217-439-01,3-butanediol 1-acetateacetic acid 3-hydroxy-butyl esterSCHEMBL48552DS-020860NS00046491
Show more names
Acetic acid 3-hydroxybutylAcetic acid 3-hydroxybutyl ester
Database identifiers
- CAS
1851-86-1- PubChem CID
- 102703
- DTXSID
DTXSID40939926- EC Number
- 217-439-0
- Nikkaji
- J25.097J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.3
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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