Myristyl palmitate
Basic information
- CAS
4536-26-9- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC- InChIKey
UULYVBBLIYLRCU-UHFFFAOYSA-N- Molecular formula
- C30H60O2
- Average molar mass
- 452.8 g/mol
- Monoisotopic mass
- 452.45933115
Overview
Myristyl palmitate is a palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of tetradecan-1-ol. It has a role as a fungal xenobiotic metabolite and a bacterial metabolite. It is a wax ester and a hexadecanoate ester. It is functionally related to a tetradecan-1-ol.
Names & identifiers
- Preferred name
- Myristyl palmitate
- IUPAC
- tetradecyl hexadecanoate
- English name
- MYRISTYL PALMITATE
- Molecular formula
- C30H60O2
- Molecular weight
- 452.8
Names & synonyms
Myristyl palmitateTetradecyl hexadecanoateTetradecyl palmitateHexadecanoic acid, tetradecyl esterPalmitic acid, tetradecyl estertetradecanyl hexadecanoateUNII-05918JMY6W05918JMY6WEINECS 224-884-4DTXSID6063511CHEBI:84064WE(14:0/16:0)
Show more names
istyl palmitateTetradecylpalmitattetradecylpalmitatePALMITIC ACID MYRISTYL ESTERpalmiticacidmyristylestercrysthexadecanoicacidtetradecylester
Myristyl palmitic acidTetradecyl palmitic acidRefChem:160439Palmitate, tetradecyl esterTetradecanyl hexadecanoic acidHexadecanoate, tetradecyl esterDTXCID6040406UULYVBBLIYLRCU-UHFFFAOYSA-N
Database identifiers
- CAS
4536-26-9- PubChem CID
- 78294
- DTXSID
DTXSID6063511- ChEBI
CHEBI:84064- UNII
- 05918JMY6W
- EC Number
- 224-884-4
- Nikkaji
- J111.010A
Properties
Computed structural properties
- XLogP
- 14.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 28
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 353
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
CosmeticsPersonal care product -> emollient -> wax ester
Physicochemical properties
- Melting point
- 49 · 49-51°C
- Boiling point
- 484.9 · 484.9±13.0 °C(Predicted)
- Density
- 0.858 · 0.858±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Hexane (Slightly)
- form
- Solid
- color
- White to Off-White
- LogP
- 14.032 · 14.032 (est)
- FDA UNII
- 5918 JMY6W · 05918JMY6W
- EPA Substance Registry System
- Hexadecanoic acid, tetradecyl ester (4536-26-9)
- TSCA
- TSCA listed
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% (8 of 8) of all reports.
Not Classified
Aggregated GHS information provided per 8 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationHexadecanoic acid, tetradecyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexadecanoic acid, tetradecyl ester: ACTIVE
Applications
UsesMyristyl Palmitate is a wax ester of palmitic acid. Wax esters are esters between long chained fatty alcohols and fatty acids. Wax esters have significance in pharmaceutical and cosmetics applications and occur naturally in plants and animals.
Additional notes
DefinitionChEBI: A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of tetradecan-1-ol.
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Compound notes
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