(2R)-octane-1,2-diol
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Basic information
- CAS
87720-90-9- Standard SMILES
CCCCCC[C@@H](O)CO- InChIKey
AEIJTFQOBWATKX-MRVPVSSYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067981
Overview
(2R)-octane-1,2-diol is an octane-1,2-diol. It is an enantiomer of a (2S)-octane-1,2-diol.
Names & identifiers
- Preferred name
- (2R)-octane-1,2-diol
- IUPAC
- (2R)-octane-1,2-diol
- English name
- (R)-(+)-1,2-OCTANEDIOL
- Molecular formula
- C8H18O2
- Molecular weight
- 146.23
Names & synonyms
(2R)-octane-1,2-diol87720-90-9(R)-(+)-1,2-Octanediol(R)-1,2-octanediolFOH 8:0;O7F2SCHEMBL2974733CHEBI:37874DTXSID40426386AEIJTFQOBWATKX-MRVPVSSYSA-NLMFA05000548MFCD00798349
Show more names
(R)-Octane-1,2-diol(2R)-1,2-Octanediol1,2-Octanediol, (2R)-(R)-(+)-1,2-Octanediol >=95.0% (sum of enantiomers, GC)
AKOS017343274DB-077090Q27117299(R)-(+)-1,2-Octanediol, >=95.0% (sum of enantiomers, GC)
Database identifiers
- CAS
87720-90-9- PubChem CID
- 6994435
- DTXSID
DTXSID40426386- ChEBI
CHEBI:37874- Nikkaji
- J67.144D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 64.3
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Physicochemical properties
- Boiling point
- 243 · 243.0±8.0 °C(Predicted)
- Density
- 0.937 · 0.937±0.06 g/cm3(Predicted)
- Flash point
- 113 °C · 113 °C
- pka
- 14.6 · 14.60±0.10(Predicted)
- WGK Germany
- 2 · 2
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
- wgk
- 2
Chemistry & industry
Additional notes
DefinitionChEBI: (2R)-octane-1,2-diol is an octane-1,2-diol. It is an enantiomer of a (2S)-octane-1,2-diol.
Related reactions
0 records
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Compound notes
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