Basic information
- CAS
6937-42-4- Standard SMILES
CCCCCCCCCCCC(=O)OC(C)CC- InChIKey
VQEUONXRKIUTJT-UHFFFAOYSA-N- Molecular formula
- C16H32O2
- Average molar mass
- 256.42 g/mol
- Monoisotopic mass
- 256.24023026
Names & identifiers
- Preferred name
- Sec-butyl laurate
- IUPAC
- butan-2-yl dodecanoate
- English name
- 2-Butyl dodecanoate
- Molecular formula
- C16H32O2
- Molecular weight
- 256.42
Names & synonyms
Sec-butyl laurate6937-42-4DTXSID80285656Dodecanoic acid, 1-methylpropyl esterRefChem:380043DTXCID00236807VQEUONXRKIUTJT-UHFFFAOYSA-Nbutan-2-yl dodecanoateNSC42576Sec-butyl laurate #1-methylpropyl dodecanoateSCHEMBL3503493
Show more names
2-Butyl dodecanoate
NSC-42576
Database identifiers
- CAS
6937-42-4- PubChem CID
- 238271
- DTXSID
DTXSID80285656- Nikkaji
- J814.863E
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 171 °C · 171 °C(Press: 18 Torr)
- Density
- 0.864 · 0.864±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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