Basic information
- CAS
84612-71-5- Standard SMILES
CCC(C)C(CC)OC(C)=O- InChIKey
IAGFRJOWIZRHRV-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 4-Methyl-3-hexanol acetate
- IUPAC
- 4-methylhexan-3-yl acetate
- English name
- 4-METHYL-3-HEXANOL ACETATE
- Molecular formula
- C9H18O2
- Molecular weight
- 158.24
Names & synonyms
4-Methyl-3-hexanol acetate84612-71-54-methylhexan-3-yl acetate1-Ethyl-2-methylbutyl acetateSCHEMBL152616651-Ethyl-2-methylbutyl acetate #IAGFRJOWIZRHRV-UHFFFAOYSA-NDTXSID501004909AKOS0062723623-Hexanol, 4-methyl-, acetate, (3R,4R)-rel- (9CI)
Database identifiers
- CAS
84612-71-5- PubChem CID
- 145035
- DTXSID
DTXSID501004909
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 165.2 · 165.2±8.0 °C(Predicted)
- Density
- 0.872 · 0.872±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
HONEST JOY HOLDINGS LIMITED[email protected]
Carbone Scientific CO., LTD[email protected]
CHEMSAMPCO[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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