1,2-Octanediol, diacetate
Basic information
- CAS
22007-56-3- Standard SMILES
CCCCCCC(COC(C)=O)OC(C)=O- InChIKey
RANGUUYBFDYGLF-UHFFFAOYSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.15180918
Names & identifiers
- Preferred name
- 1,2-Octanediol, diacetate
- IUPAC
- 2-acetyloxyoctyl acetate
- English name
- 1,2-octanediyl diacetate
- Molecular formula
- C12H22O4
- Molecular weight
- 230.30068
Names & synonyms
1,2-Octanediol, diacetateRefChem:41209822007-56-31,2-Octanediyl diacetateoctane-1,2-diyl diacetateSCHEMBL6683371DTXSID40944611RANGUUYBFDYGLF-UHFFFAOYSA-NEINECS 244-715-8AI3-13061NS000497431,2-Octanediol diacetate
Database identifiers
- CAS
22007-56-3- PubChem CID
- 89570
- DTXSID
DTXSID40944611- EC Number
- 244-715-8
- Nikkaji
- J225.512J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 213
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,2-Octanediol, diacetate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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