3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxapentacontan-1-ol
Basic information
- CAS
94159-75-8- Standard SMILES
CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO- InChIKey
CAYQUDJGOSZBKU-UHFFFAOYSA-N- Molecular formula
- C38H78O13
- Average molar mass
- 743 g/mol
- Monoisotopic mass
- 742.54424254
Names & identifiers
- Preferred name
- 3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxapentacontan-1-ol
- IUPAC
- 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tetradecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
- English name
- 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxapentacontan-1-ol
- Molecular formula
- C38H78O13
- Molecular weight
- 743.02
Names & synonyms
94159-75-83,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxapentacontan-1-olDTXSID20240885RefChem:91668DTXCID50163376CAYQUDJGOSZBKU-UHFFFAOYSA-NNS00040195Reaxys ID: 14506259
Database identifiers
- CAS
94159-75-8- PubChem CID
- 14973993
- DTXSID
DTXSID20240885- EC Number
- 303-255-9
- Nikkaji
- J368.906I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 48
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 592
Physicochemical properties
- Boiling point
- 719.9 · 719.9±55.0 °C(Predicted)
- Density
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- pka
- 14.36 · 14.36±0.10(Predicted)
- Cosmetics Ingredients Functions
- SURFACTANT - EMULSIFYINGSURFACTANT - CLEANSING
- FDA UNII
- 81 W5D25D · RS81W5D25D
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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