Basic information
- CAS
10550-58-0- Standard SMILES
CCCCCCCCCCCCCCCCOCC(O)CO- InChIKey
OOWQBDFWEXAXPB-UHFFFAOYSA-N- Molecular formula
- C19H40O3
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.29774514
Overview
1-O-palmitylglycerol is an alkylglycerol that is glycerol carrying a single palmityl (hexadecyl) substituent at position 1.
Names & identifiers
- Preferred name
- 1-O-Hexadecylglycerol
- IUPAC
- 3-hexadecoxypropane-1,2-diol
- English name
- 1-O-HEXADECYL-RAC-GLYCEROL
- Molecular formula
- C19H40O3
- Molecular weight
- 316.52
Names & synonyms
6145-69-31-O-Hexadecylglycerolcetyl glyceryl etherGlyceryl-1-hexadecyl etherP9FNL3D0MN1,2-Propanediol, 3-(hexadecyloxy)-(1)-3-(Hexadecyloxy)propane-1,2-diolNSC-59269RefChem:575383228-149-91-O-Hexadecyl-Rac-Glycerol3-(hexadecyloxy)propane-1,2-diol
Show more names
DL-TestriolCHIMYL ALCOHOLDL-CHIMYL ALCOHOL1-O-HexadecylglycerinDL-α-Hexadecylglycerolalpha-hexadecylglycerolrac-1-hexadecyl-glycerol
3-(Hexadecyloxy)-1,2-propanediol1-O-Palmityl-rac-glycerol1-O-palmitylglycerol1-Hexadecylglycerol1-palmitylglycerolMFCD00042736NSC59269EINECS 228-149-9
Database identifiers
- CAS
10550-58-0、53584-29-5、6145-69-3- PubChem CID
- 72733
- DTXSID
DTXSID80862067- ChEMBL
CHEMBL142186- ChEBI
CHEBI:76061- UNII
- P9FNL3D0MN
- EC Number
- 228-149-9
- Nikkaji
- J6.228F
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Cetyl Glyceryl Ether) -> CIR (Cosmetic Ingredient Review)
Emollient; Skin conditioning
Physicochemical properties
- Melting point
- 60 · 60-65 °C
- Boiling point
- 445.2 · 445.2±25.0 °C(Predicted)
- Density
- 0.92 · 0.920±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 13.68 · 13.68±0.20(Predicted)
- form
- Solid
- color
- White to off-white
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONINGVISCOSITY CONTROLLING
- Cosmetic Ingredient Review (CIR)
- 1 · 1-O-HEXADECYL-RAC-GLYCEROL (6145-69-3)
- LogP
- 6.67 · 6.670 (est)
- CAS DataBase Reference
- 6145 · 6145-69-3
- FDA UNII
- 9 FNL3D0MN · P9FNL3D0MN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 264 · P264-P270-P273-P301+P312-P330
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P273-P301+P312-P330
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Cetyl Glyceryl Ether
Use ClassificationCosmetics -> Emollient; Skin conditioning
Applications
Uses1-O-Hexadecyl-rac-glycerol is used in the synthesis of N-linked and diglycosylated glucosamine-based glycerolipids as antitumor agents.
Suppliers2 total
杭州杰恒化工有限公司0571-87396432 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Additional notes
DefinitionChEBI: An alkylglycerol that is glycerol carrying a single palmityl (hexadecyl) substituent at position 1.
Related reactions
42 records
Compound notes
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