Basic information
- CAS
4219-49-2- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCCO- InChIKey
BXCRLBBIZJSWNS-UHFFFAOYSA-N- Molecular formula
- C18H36O3
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.26644501
Overview
2-hydroxyethyl hexadecanoate is a hexadecanoate ester obtained by the formal condensation of carboxy group of hexadecaoic acid with one of the hydroxy groups of ethylene glycol. It has a role as a Brassica napus metabolite. It is a primary alcohol and a hexadecanoate ester. It is functionally related to an ethylene glycol.
Names & identifiers
- Preferred name
- 2-Hydroxyethyl hexadecanoate
- IUPAC
- 2-hydroxyethyl hexadecanoate
- English name
- 2-hydroxyethyl palmitate
- Molecular formula
- C18H36O3
- Molecular weight
- 300.48
Names & synonyms
2-Hydroxyethyl palmitateGlycol palmitate4219-49-22-Hydroxyethyl hexadecanoateEthylene glycol monopalmitatePalmitoylglycolHexadecanoic acid, 2-hydroxyethyl esterGlycol monopalmitatePALMITIC ACID, 2-HYDROXYETHYL ESTERLanol PNSC 406556EINECS 224-160-8
Show more names
Nsc406556Ethylene glycol palmitateEthylene glycol 1-palmitateEthyleneglycol monopalmitateEthylene glycol hexadecanoatePalmitic acid 2-hydroxyethyl ester
BRN 1789719T80A3T38WEAI3-03503NSC-406556CHEBI:136809DTXSID10863345RefChem:473432Hexadecanoic acid, 2-hydroxyethyl ester (9CI)
Database identifiers
- CAS
4219-49-2、9004-94-8- PubChem CID
- 20201
- DTXSID
DTXSID10863345- ChEBI
CHEBI:136809- UNII
- T80A3T38WE
- EC Number
- 224-160-8、618-403-0
- Nikkaji
- J110.953G
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
CosmeticsOpacifying; Surfactant; Emulsifying; Skin conditioning
Physicochemical properties
- Melting point
- 51 °C · 51°C
- Boiling point
- 381.69 °C · 381.69°C (rough estimate)
- Density
- 0.8768 · 0.8768
- vapor pressure
- 11.4 Pa · 11.4Pa at 20℃
- refractive index
- 1.42 · 1.4200 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.9 · 13.90±0.10(Predicted)
- color
- White to Off-White
- Water Solubility
- 1 mg/L · 1mg/L at 20℃
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGOPACIFYINGSURFACTANT - EMULSIFYING
- LogP
- 2.6 at · 2.6 at 25℃
- FDA UNII
- 80 A3T38WE · T80A3T38WE
- EPA Substance Registry System
- Ethylene glycol monopalmitate (4219-49-2)
- REACH Registrations
- Active
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% (44 of 44) of all reports.
Not Classified
Aggregated GHS information provided per 44 reports by companies from 1 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (13 of 13) of all reports.
Not Classified
Aggregated GHS information provided per 13 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Hexadecanoic acid, 2-hydroxyethyl ester
REACH registered substance: 2-hydroxyethyl palmitate (EC: 224-160-8)
Hexadecanoic acid, 2-hydroxyethyl ester: Does not have an individual approval but may be used under an appropriate group standard
EPA Safer ChemicalChemical: Ethylene glycol monopalmitate
Hazard Classes and Categories
Not Classified
Not Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Cosmetics -> Opacifying; Surfactant; Emulsifying; Skin conditioning
Applications
UsesEthylene Glycol Monopalmitate has a strong interaction potential with NFkB, suggesting its use for development of antiinflammatory and anticancer drugs.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
Additional notes
DefinitionChEBI: 2-hydroxyethyl hexadecanoate is a hexadecanoate ester obtained by the formal condensation of carboxy group of hexadecaoic acid with one of the hydroxy groups of ethylene glycol It has a role as a Brassica napus metabolite. It is a hexadecanoate ester and a primary alcohol. It is functionally related to an ethylene glycol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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