1-Hexacosanol
Basic information
- CAS
506-52-5- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCO- InChIKey
IRHTZOCLLONTOC-UHFFFAOYSA-N- Molecular formula
- C26H54O
- Average molar mass
- 382.7 g/mol
- Monoisotopic mass
- 382.41746634
Overview
Hexacosan-1-ol is a very long-chain primary fatty alcohol that is hexacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has a role as an insecticide and a plant metabolite. It is a very long-chain primary fatty alcohol and a hexacosanol.
Names & identifiers
- Preferred name
- 1-Hexacosanol
- IUPAC
- hexacosan-1-ol
- English name
- 1-Hexacosanol
- Molecular formula
- C26H54O
- Molecular weight
- 382.71
Names & synonyms
1-Hexacosanol506-52-5Hexacosan-1-olCERYL ALCOHOLn-HexacosanolHexacosyl alcoholCerylic alcoholM7SD300NNBDTXSID3027162NSC-4058CHEBI:28415RefChem:25806
Show more names
CEROTINALCOHOL C26CEROTYL ALCOHOLHEXACOSANOL, 1-
DTXCID507162208-044-4HexacosanolCerylalkoholUNII-M7SD300NNB1-hexacosanol [M+H]+MFCD00002940HEXACOSANOL [USP-RS]
Database identifiers
- CAS
506-52-5- PubChem CID
- 68171
- DTXSID
DTXSID3027162- ChEBI
CHEBI:28415- UNII
- M7SD300NNB
- EC Number
- 208-044-4
- Nikkaji
- J6.230H
Properties
Computed structural properties
- XLogP
- 12.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 24
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
PolymersOther Classes -> Alcohols and Polyols, Other
Physical DescriptionWhite crystalline solid; [Aldrich MSDS]
Physicochemical properties
- Melting point
- 78 · 78-80 °C
- Boiling point
- 240 °C · 240 °C (0.07501 mmHg)
- Density
- 0.84 · 0.840
- refractive index
- 1.4515 · 1.4515 (estimate)
- Flash point
- 139 ℃ · 139℃
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Hexanes (Slightly, Heated, Sonicated)
- pka
- 15.2 · 15.20±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
- BRN
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (112 of 112) of all reports.
Not Classified
Aggregated GHS information provided per 112 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1-Hexacosanol
1-Hexacosanol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 1-Hexacosanol: Human health tier I assessment
Hazards SummaryCauses inflammation in 2-day intermittent oral studies of rats; [RTECS] May cause irritation; [Aldrich MSDS] See 1-Docosanol.
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- -
- tsca
- TSCA listed
- hs_code
- 2905199095
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Hexacosanol: ACTIVE
Applications
Uses1-Hexacosanol shows potential application to reducing parkinson’s symptoms. Shown to contribute to the modulation of the release of proinflammatory mediators.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A long-chain primary fatty alcohol that is hexacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group.
Suppliers
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Related reactions
2 records
Compound notes
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