Selachyl alcohol

HCID 5282282

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 34783-94-3
Standard SMILES: CCCCCCCC/C=C\CCCCCCCCOCC(O)CO
InChIKey: NRWMBHYHFFGEEC-KTKRTIGZSA-N
Molecular formula: C21H42O3
Average molar mass: 342.6 g/mol
Monoisotopic mass: 342.3133952

Overview

(9Z)-1-O-octadec-9-enyl glycerol is an alkylglycerol. It is functionally related to a glycerol.

Names & identifiers

Preferred name: Selachyl alcohol
IUPAC: 3-[(Z)-octadec-9-enoxy]propane-1,2-diol
English name: selachyl alcohol
Molecular formula: C21H42O3
Molecular weight: 342.55638

Names & synonyms

Selachyl alcohol34783-94-39734969CCZ(Z)-(+-)-3-(9-Octadecenyloxy)-1,2-propanediolGlyceryl monooleyl etherRefChem:884796593-31-73-[(Z)-octadec-9-enoxy]propane-1,2-diololeyl glyceryl etherGlycerol 1-Oleyl Ether-d5Glycerol 1-Oleyl EtherOctadec-9-enylglycerol

Show more names

(±)-Serachyl alcohol(9Z)-1-O-octadec-9-enyl glycerol3-octadec-9-enoxypropane-1,2-diolrac-(R*)-3-[[(Z)-9-Octadecenyl]oxy]-1,2-propanediol

NSC292301-O-Octadec-9-enyl glycerol(Z)-3-(9-Octadecenyloxy)propane-1,2-diolNSC-29230NSC-36089SELACHYLALCOHOLNSC36089UNII-9734969CCZ

Database identifiers

CAS: 34783-94-3、593-31-7
PubChem CID: 5282282
DTXSID: DTXSID701021791
ChEBI: CHEBI:34116
UNII: 9734969CCZ
EC Number: 209-787-7
Nikkaji: J188.470K

Properties

Computed structural properties

XLogP: 6.7
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 19
Heavy atoms: 24
Formal charge: 0
Complexity: 253

Experimental & physicochemical properties

PolymersOther Classes -> Alcohols and Polyols, Other

Cosmetics · 2 items

Cosmetic ingredients (Oleyl Glyceryl Ether) -> CIR (Cosmetic Ingredient Review)

Skin conditioning; Emollient

Physicochemical properties

Melting point: 17.6 · 17.6~18.51

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Regulatory InformationChemical: 1,2-Propanediol, 3-(9-octadecenyloxy)-, (Z)-

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