1-Octacosanol
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Basic information
- CAS
557-61-9- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO- InChIKey
CNNRPFQICPFDPO-UHFFFAOYSA-N- Molecular formula
- C28H58O
- Average molar mass
- 410.8 g/mol
- Monoisotopic mass
- 410.44876647
Overview
1-octacosanol is a white crystalline powder. (NTP, 1992)
Names & identifiers
- Preferred name
- 1-Octacosanol
- IUPAC
- octacosan-1-ol
- English name
- 1-Octacosanol
- Molecular formula
- C28H58O
- Molecular weight
- 410.76
Names & synonyms
1-OctacosanolOctacosanolOctacosan-1-ol557-61-9Montanyl alcoholCluytyl alcoholOctacosyl alcoholn-OctacosanolOctanosoloctacosyl81I2215OVKNSC-10770
Show more names
PolicosanolNSC 10770NSC 57768Octacosanoctacosanol
DTXSID1025803CHEBI:28243NSC10770RefChem:25872DTXCID305803DTXSID901019021209-181-2OCTACOSANOL-1
Database identifiers
- CAS
557-61-9- PubChem CID
- 68406
- DTXSID
DTXSID1025803- ChEMBL
CHEMBL1951714- ChEBI
CHEBI:28243- UNII
- 81I2215OVK
- EC Number
- 209-181-2
- Nikkaji
- J10.708E
Properties
Computed structural propertiesFilling in
- XLogP
- 13.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 26
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
Drugs
Pharmaceuticals -> Antilipidemics
Pharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
PolymersOther Classes -> Alcohols and Polyols, Other
Solubilityless than 1 mg/mL at 70.7 °F (NTP, 1992)
Boiling Point392 to 482 °F at 1 mmHg (sublimes) (NTP, 1992)
Melting Point
181.9 °F (NTP, 1992)
83.2 - 83.4 °C
Physical Description
1-octacosanol is a white crystalline powder. (NTP, 1992)
White solid; [CAMEO] White powder; [Aldrich MSDS]
Solid
Physicochemical properties
- Melting point
- 81 · 81-83°C
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 80% (4 of 5) of all reports.
Warning
H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Octacosanol
1-Octacosanol: 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-Octacosanol: Human health tier I assessment
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: This chemical may cause irritation.
Hazards Summary
Aliphatic alcohols are metabolized and eliminated efficiently; Not skin sensitizers; May have low-grade liver effects; CNS depression seen in shorter chain alcohols, e.g., 1-hexanol and 1-octanol; [Reference #1] May cause irritation; [Aldrich MSDS]
Reactive GroupAlcohols and Polyols
Reactivity Profile
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
UsesFound in vegetable waxes; [Merck Index]
General Manufacturing Information1-Octacosanol: ACTIVE
Applications
OccurrenceOctacosanol is developed from wheat germ, sugar cane, or vegetable waxes.
UsesA 28-carbon primary fatty alcohol commonly found in the epicuticular waxes of plants. It has shown protective effects against parkonsonism and due to its excellent tolerability and non-toxicity, octacosanol may be a promising agent for PD treatment.
General DescriptionWhite crystalline powder.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: A long-chain primary fatty alcohol that is octacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group.
Related reactions
1 records
Compound notes
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