1,2-Octadecanediol
Completing data — refresh the page later to see the latest
Basic information
- CAS
20294-76-2- Standard SMILES
CCCCCCCCCCCCCCCCC(O)CO- InChIKey
XWAMHGPDZOVVND-UHFFFAOYSA-N- Molecular formula
- C18H38O2
- Average molar mass
- 286.5 g/mol
- Monoisotopic mass
- 286.28718046
Overview
1,2-octadecanediol is a glycol that is octadecane bearing two hydroxy substituents located at positions 1 and 2. It is functionally related to an octadecane.
Names & identifiers
- Preferred name
- 1,2-Octadecanediol
- IUPAC
- octadecane-1,2-diol
- English name
- octadecane-1,2-diol
- Molecular formula
- C18H38O2
- Molecular weight
- 286.49
Names & synonyms
1,2-OctadecanediolOctadecane-1,2-diolStearyl glycol1,2-Dihydroxyoctadecane20294-76-21,12-DihydroxyoctadecaneUNII-9J9GD77RJIoctadecylene glycol9J9GD77RJIEINECS 243-711-3NSC 71534NSC-71534
Show more names
C18 DiolVikinol 18Speziol C18/2
AI3-14194CHEBI:84956RefChem:72112STEARYL GLYCOL [INCI]XWAMHGPDZOVVND-UHFFFAOYSA-NO-HexadecylethanediolNCIOpen2_003464SCHEMBL439709
Database identifiers
- CAS
20294-76-2- PubChem CID
- 89314
- DTXSID
DTXSID101021743- ChEBI
CHEBI:84956- UNII
- 9J9GD77RJI
- EC Number
- 243-711-3
- Nikkaji
- J108.084I
Properties
Computed structural propertiesFilling in
- XLogP
- 7.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Stearyl Glycol) -> CIR (Cosmetic Ingredient Review)
Emollient
Physicochemical properties
- Melting point
- 81 ℃ · 81℃ (ethanol )
- Boiling point
- 323.59 °C · 323.59°C (rough estimate)
- Density
- 0.8738 · 0.8738 (rough estimate)
- refractive index
- 1.4788 · 1.4788 (estimate)
- Cosmetics Ingredients Functions
- VISCOSITY CONTROLLINGEMULSION STABILISINGSKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENT
- LogP
- 6.634 · 6.634 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 J9GD77RJI · 9J9GD77RJI
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% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,2-Octadecanediol
1,2-octadecane diol: 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.
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Stearyl Glycol
Use ClassificationCosmetics -> Emollient
Additional notes
DefinitionChEBI: A glycol that is octadecane bearing two hydroxy substituents located at positions 1 and 2.
Related reactions
2 records
Compound notes
Loading…