Basic information
- CAS
42175-34-8- Standard SMILES
CCCCCCCCCCOC(=O)C(C)O- InChIKey
FUGCGCXGFWNOSY-UHFFFAOYSA-N- Molecular formula
- C13H26O3
- Average molar mass
- 230.34 g/mol
- Monoisotopic mass
- 230.18819469
Names & identifiers
- Preferred name
- Decyl lactate
- IUPAC
- decyl 2-hydroxypropanoate
- English name
- N-DECYLLACTATE
- Molecular formula
- C13H26O3
- Molecular weight
- 230.34
Names & synonyms
decyl lactate42175-34-8DTXSID60324370RefChem:336777DTXCID902754873BB6FCN8TANSC-4065322-Hydroxypropionic acid decyl esterUNII-3BB6FCN8TAPropanoic acid, 2-hydroxy-, decyl esterdecyl 2-hydroxypropanoateSCHEMBL2249727
Show more names
N-DECYLLACTATE
FUGCGCXGFWNOSY-UHFFFAOYSA-NNSC406532
Database identifiers
- CAS
42175-34-8- PubChem CID
- 347720
- DTXSID
DTXSID60324370- UNII
- 3BB6FCN8TA
- Nikkaji
- J3.226.831E
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 312.34 °C · 312.34°C (rough estimate)
- Density
- 1.0338 · 1.0338 (rough estimate)
- refractive index
- 1.4305 · 1.4305 (estimate)
- pka
- 13.05 · 13.05±0.20(Predicted)
- Water Solubility
- 0.2 g/L · 0.2g/L(25 ºC)
- FDA UNII
- 3 BB6FCN8TA · 3BB6FCN8TA
Chemistry & industry
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
4 records
Compound notes
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