Basic information
- CAS
3625-52-3- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
ICAIHSUWWZJGHD-UHFFFAOYSA-N- Molecular formula
- C32H64O2
- Average molar mass
- 480.8 g/mol
- Monoisotopic mass
- 480.49063128
Overview
Dotriacontanoic acid is a straight-chain saturated fatty acid that is dotriacontane in which one of the methyl groups has been oxidised to the corresponding carboxylic acid. It has a role as a metabolite. It is an ultra-long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a dotriacontanoate.
Names & identifiers
- Preferred name
- Dotriacontanoic Acid
- IUPAC
- dotriacontanoic acid
- English name
- dotriacontanoic acid
- Molecular formula
- C32H64O2
- Molecular weight
- 480.85
Names & synonyms
DOTRIACONTANOIC ACIDLacceroic acidLacceric acid3625-52-3C32:0PB0234915OCHEBI:76215DTXSID30189791RefChem:920638DTXCID90112282CHEMBL1917282FA 32:0
Show more names
LACCERICACID
UNII-PB0234915On-dotriacontanoic acidC32:0; Lacceric acidSCHEMBL196790BDBM50357391LMFA01010032DB-254600Q2823259
Database identifiers
- CAS
3625-52-3- PubChem CID
- 19255
- DTXSID
DTXSID30189791- ChEMBL
CHEMBL1917282- ChEBI
CHEBI:76215- UNII
- PB0234915O
- Nikkaji
- J13.635B
Properties
Computed structural properties
- XLogP
- 15
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 30
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 379
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
Physicochemical properties
- Boiling point
- 499.61 °C · 499.61°C (rough estimate)
- Density
- 0.883 · 0.8830 (rough estimate)
- refractive index
- 1.4904 · 1.4904 (estimate)
- FDA UNII
- 234915 O · PB0234915O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers3 total
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Additional notes
DefinitionChEBI: A straight-chain saturated fatty acid that is dotriacontane in which one of the methyl groups has been oxidised to the corresponding carboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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