2-Decyltetradecyl laurate
Basic information
- CAS
27611-01-4- Standard SMILES
CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)CCCCCCCCCCC- InChIKey
PRAQHFXSEMSCMI-UHFFFAOYSA-N- Molecular formula
- C36H72O2
- Average molar mass
- 537 g/mol
- Monoisotopic mass
- 536.55323154
Names & identifiers
- Preferred name
- 2-Decyltetradecyl laurate
- IUPAC
- 2-decyltetradecyl dodecanoate
- English name
- 2-decyltetradecyl laurate
- Molecular formula
- C36H72O2
- Molecular weight
- 536.96
Names & synonyms
27611-01-42-Decyltetradecyl laurate2-decyltetradecyl dodecanoateEINECS 248-571-7SCHEMBL26118474DTXSID50950283PRAQHFXSEMSCMI-UHFFFAOYSA-NNS00050836Lauric acid 2-decyltetradecyl esterDodecanoic acid, 2-decyltetradecyl ester
Database identifiers
- CAS
27611-01-4- PubChem CID
- 119680
- DTXSID
DTXSID50950283- EC Number
- 248-571-7
- Nikkaji
- J250.557F
Properties
Computed structural properties
- XLogP
- 17.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 33
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Boiling point
- 543.4 · 543.4±18.0 °C(Predicted)
- Density
- 0.856 · 0.856±0.06 g/cm3(Predicted)
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Compound notes
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