Basic information
- CAS
21398-43-6- Standard SMILES
CCCCCCC(CO)CO- InChIKey
PJJDIUDNTBMCHO-UHFFFAOYSA-N- Molecular formula
- C9H20O2
- Average molar mass
- 160.25 g/mol
- Monoisotopic mass
- 160.14632988
Names & identifiers
- Preferred name
- 2-Hexylpropane-1,3-diol
- IUPAC
- 2-hexylpropane-1,3-diol
- English name
- 1,3-Propanediol
- Molecular formula
- C9H20O2
- Molecular weight
- 160.25
Names & synonyms
2-hexylpropane-1,3-diol21398-43-6NSC 1087222-n-Hexylpropan-1,3-diolNSC1087222-hexyl-1,3-propanediol2-hexyl-1,3-propane-diolSCHEMBL79863DTXSID90296298PJJDIUDNTBMCHO-UHFFFAOYSA-NAKOS018004891NSC-108722
Show more names
Dimethylolheptane2-Deoxy-2-hexylglycerol1,3-Propanediol, 2-hexyl-Bis(hydroxymethyl)heptane
DA-20085
Database identifiers
- CAS
21398-43-6- PubChem CID
- 268484
- DTXSID
DTXSID90296298- Nikkaji
- J2.937.512G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 70
Physicochemical properties
- Boiling point
- 270 ℃ · 270℃
- Density
- 0.929 · 0.929
- Flash point
- 123 ℃ · 123℃
Chemistry & industry
Suppliers1 total
成都伍源生物工程有限公司17358513851 · [email protected]
Related reactions
5 records
Compound notes
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