Basic information
- CAS
63408-88-8- Standard SMILES
CCCCCCC(O)CCOC(=O)CC- InChIKey
KTXBXWFBDQAWLR-UHFFFAOYSA-N- Molecular formula
- C12H24O3
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.17254462
Names & identifiers
- Preferred name
- 1,3-Nonanediol, 1-propanoate
- IUPAC
- 3-hydroxynonyl propanoate
- English name
- 3-hydroxynonyl propionate
- Molecular formula
- C12H24O3
- Molecular weight
- 216.32
Names & synonyms
1,3-Nonanediol, 1-propanoate1,3-Nonanediol, 1-propionate63408-88-8EINECS 264-131-7DTXSID60885759RefChem:72890DTXCID1010251213-Hydroxynonyl propionate3-hydroxynonyl propanoateSCHEMBL28846641KTXBXWFBDQAWLR-UHFFFAOYSA-NNS00054726
Show more names
Propionic acid 3-hydroxynonyl ester
Database identifiers
- CAS
63408-88-8- PubChem CID
- 112644
- DTXSID
DTXSID60885759- EC Number
- 264-131-7
- Nikkaji
- J349.172B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 268.3 · 268.3±13.0 °C(Predicted)
- Density
- 0.948 · 0.948±0.06 g/cm3(Predicted)
- pka
- 14.87 · 14.87±0.20(Predicted)
- LogP
- 3.084 · 3.084 (est)
- EPA Substance Registry System
- 1 · 1,3-Nonanediol, 1-propanoate (63408-88-8)
- 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-propanoate: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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