Basic information
- CAS
62439-40-1- Standard SMILES
COC(C)(C)CCCC(C)C(O)CO- InChIKey
IABAOBVWYBZJEZ-UHFFFAOYSA-N- Molecular formula
- C11H24O3
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.17254462
Names & identifiers
- Preferred name
- 1,2-Octanediol, 7-methoxy-3,7-dimethyl-
- IUPAC
- 7-methoxy-3,7-dimethyloctane-1,2-diol
- English name
- 7-Methoxy-3,7-dimethyl-1,2-octanediol
- Molecular formula
- C11H24O3
- Molecular weight
- 204.31
Names & synonyms
7-Methoxy-3,7-dimethyloctane-1,2-diol62439-40-11,2-Octanediol, 7-methoxy-3,7-dimethyl-DTXSID90886173RefChem:412097DTXCID6010255147-Methoxy-3,7-dimethyl-1,2-octanediolSCHEMBL112434067-Methoxy-3,7-dimethyl octan-1,2-diol
Database identifiers
- CAS
62439-40-1- PubChem CID
- 112490
- DTXSID
DTXSID90886173- Nikkaji
- J429.453J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,2-Octanediol, 7-methoxy-3,7-dimethyl- (62439-40-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Octanediol, 7-methoxy-3,7-dimethyl-: INACTIVE
Related reactions
2 records
Compound notes
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