Dotriacontanol
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Basic information
- CAS
6624-79-9- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO- InChIKey
QOEHNLSDMADWEF-UHFFFAOYSA-N- Molecular formula
- C32H66O
- Average molar mass
- 466.9 g/mol
- Monoisotopic mass
- 466.51136673
Overview
Dotriacontan-1-ol is an ultra-long-chain primary fatty alcohol that is dotriacontane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has a role as a plant metabolite. It derives from a hydride of a dotriacontane.
Names & identifiers
- Preferred name
- Dotriacontanol
- IUPAC
- dotriacontan-1-ol
- English name
- 1-DOTRIACONTANOL
- Molecular formula
- C32H66O
- Molecular weight
- 466.87
Names & synonyms
Dotriacontanol1-Dotriacontanoldotriacontan-1-olUNII-82J5YYF71H82J5YYF71HNSC-53834CHEBI:77414DTXSID10873227NSC 53834RefChem:135713DTXCID6082082779554-32-8
Show more names
Laccerolotriacontan-1-olＮ-dotriacontanol
6624-79-9n-Dotriacontanol1-dotriacontanol;Lacceroldotriacontyl alcoholNSC53834SCHEMBL15716orb1984099SCHEMBL18429727
Database identifiers
- CAS
6624-79-9- PubChem CID
- 96117
- DTXSID
DTXSID10873227- ChEBI
CHEBI:77414- UNII
- 82J5YYF71H
- Nikkaji
- J122.875G
Properties
Computed structural propertiesFilling in
- XLogP
- 16
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 30
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 314
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Physicochemical properties
- Melting point
- 96 ℃ · 96℃ (hexane )
- Boiling point
- 457.6 · 457.6±8.0℃ (760 Torr)
- Density
- 0.842 · 0.842±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.4581 · 1.4581 (estimate)
- Flash point
- 123.7 · 123.7±6.0℃
- pka
- 15.2 · 15.20±0.10(Predicted)
- FDA UNII
- 82 J5YYF71H · 82J5YYF71H
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-Dotriacontanol
Other Safety InformationIMAP assessments - 1-Dotriacontanol: Human health tier I assessment
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: A long-chain primary fatty alcohol that is dotriacontane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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