Isohexacosanol
Basic information
- CAS
68444-33-7- Standard SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCCCCO- InChIKey
XCAKLCDEUPZJOI-UHFFFAOYSA-N- Molecular formula
- C26H54O
- Average molar mass
- 382.7 g/mol
- Monoisotopic mass
- 382.41746634
Overview
24-methylpentacosan-1-ol is a very long-chain primary fatty alcohol that is pentacosan-1-ol substituted by a methyl group at position 24. It is functionally related to a pentacosan-1-ol. It derives from a hydride of a pentacosane.
Names & identifiers
- Preferred name
- Isohexacosanol
- IUPAC
- 24-methylpentacosan-1-ol
- English name
- isohexacosyl alcohol
- Molecular formula
- C26H54O
- Molecular weight
- 382.70636
Names & synonyms
IsohexacosanolUndecylpentadecanol68444-33-7EINECS 270-593-0DTXSID9071553RefChem:791874DTXCID504601324-methylpentacosan-1-olIsohexacosyl alcohol1-Isohexacosanol24-MethylpentacosanolSCHEMBL852700
Show more names
CHEBI:84917XCAKLCDEUPZJOI-UHFFFAOYSA-NNS00014195Q27158182
Database identifiers
- CAS
68444-33-7- PubChem CID
- 110328
- DTXSID
DTXSID9071553- ChEBI
CHEBI:84917- EC Number
- 270-593-0
Properties
Computed structural properties
- XLogP
- 12.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 23
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 249
Experimental & physicochemical properties
CosmeticsSkin conditioning; Emollient
Physicochemical properties
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONING
- LogP
- 11.891 · 11.891 (est)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Isohexacosanol (68444-33-7)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Skin conditioning; Emollient
General Manufacturing InformationIsohexacosanol: INACTIVE
Additional notes
DefinitionChEBI: 24-methylpentacosan-1-ol is a very long-chain primary fatty alcohol that is pentacosan-1-ol substituted by a methyl group at position 24. It is functionally related to a pentacosan-1-ol. It derives from a hydride of a pentacosane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…