Basic information
- CAS
26444-39-3- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO- InChIKey
ROOBHHSRWJOKSH-UHFFFAOYSA-N- Molecular formula
- C31H64O
- Average molar mass
- 452.8 g/mol
- Monoisotopic mass
- 452.49571666
Overview
Hentriacontan-1-ol is a primary alcohol. It derives from a hydride of a hentriacontane.
Names & identifiers
- Preferred name
- Hentriacontan-1-ol
- IUPAC
- hentriacontan-1-ol
- English name
- hentricontanol
- Molecular formula
- C31H64O
- Molecular weight
- 452.83926
Names & synonyms
1-HentriacontanolHentriacontan-1-oln-Hentriacontanol544-86-5MelissylalkoholMyricylalkoholMyrizylalkohol3P76DL514DEINECS 208-882-0CHEBI:27640DTXSID30862158RefChem:783526
Show more names
DTXCID8081096226444-39-3HentricontanolHentriacontanolHentricontan-1-olUNII-3P76DL514DEINECS 247-692-2SCHEMBL438996
Database identifiers
- CAS
26444-39-3、544-86-5- PubChem CID
- 68345
- DTXSID
DTXSID30862158- ChEBI
CHEBI:27640- UNII
- 3P76DL514D
- EC Number
- 208-882-0、247-692-2
- Nikkaji
- J188.393C
Properties
Computed structural properties
- XLogP
- 15.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 29
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1-Hentriacontanol
Other Safety InformationIMAP assessments - 1-Hentriacontanol: Human health tier I assessment
Chemistry & industry
Suppliers1 total
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
Additional notes
DefinitionChEBI: Hentriacontan-1-ol is a primary alcohol. It derives from a hydride of a hentriacontane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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