1,3-Nonanediol, 1-formate
Basic information
- CAS
68227-53-2- Standard SMILES
CCCCCCC(O)CCOC=O- InChIKey
CVKJUIUKJHCMER-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Names & identifiers
- Preferred name
- 1,3-Nonanediol, 1-formate
- IUPAC
- 3-hydroxynonyl formate
- English name
- 3-hydroxynonyl formate
- Molecular formula
- C10H20O3
- Molecular weight
- 188.26
Names & synonyms
1,3-Nonanediol, 1-formate68227-53-2DTXSID00887292EINECS 269-365-3RefChem:72889DTXCID2010265963-Hydroxynonyl formateSCHEMBL28158738CVKJUIUKJHCMER-UHFFFAOYSA-NNS00061078nonan-3-yl formateFormic acid 9-hydroxynonyl ester
Database identifiers
- CAS
68227-53-2- PubChem CID
- 109237
- DTXSID
DTXSID00887292- EC Number
- 269-365-3
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- LogP
- 2.267 · 2.267 (est)
- EPA Substance Registry System
- 1 · 1,3-Nonanediol, 1-formate (68227-53-2)
- 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 Information1,3-Nonanediol, 1-formate: INACTIVE
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Related reactions
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Compound notes
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