Basic information
- CAS
628-97-7- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC- InChIKey
XIRNKXNNONJFQO-UHFFFAOYSA-N- Molecular formula
- C18H36O2
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 284.27153039
Names & identifiers
- Preferred name
- Ethyl palmitate
- IUPAC
- ethyl hexadecanoate
- English name
- Ethyl hexadecanoate
- Molecular formula
- C18H36O2
- Molecular weight
- 284.48
Names & synonyms
ETHYL PALMITATEEthyl hexadecanoate628-97-7Hexadecanoic acid, ethyl esterPalmitic acid, ethyl esterEthyl cetylateFEMA No. 2451DTXSID2047511NSC-8918IRD3M534ZMDTXCID0027511CHEBI:84932
Show more names
WE(2:0/16:0)RefChem:139032211-064-6Palmitic acid ethyl esterhexadecanoic acid ethyl esterMFCD00008996Ethyl n-hexadecanoateHexadecanoic acid ethyl
Database identifiers
- CAS
628-97-7- PubChem CID
- 12366
- DTXSID
DTXSID2047511- ChEMBL
CHEMBL3561042- ChEBI
CHEBI:84932- UNII
- IRD3M534ZM
- EC Number
- 211-064-6
- Nikkaji
- J46.819C
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
Density0.863-0.865
Solubility
Soluble in ethanol and oils, insoluble in water
(in ethanol)
Boiling Point
192.00 to 193.00 °C. @ 10.00 mm Hg
303 °C
Melting Point24 °C
Refractive Index1.404-1.408
Physical Description
Solid
Colourless crystals with a waxy odour
Kovats Retention Index
1968；1966；1980；1983；1981；1981；1975；1980；1985；1970；1978；1979；1978；1978；1978；1978；1978；1978；1976；1976
1993.5；1994；1992；1990；1994；2013；1990；1993；1995.7；1995.7；1996；1993；1997；1993；1978；1993；1999；1991；1992；1997
2250；2251；2253；2288；2241；2259；2226；2215；2246；2252；2259；2220；2276；2280；2238；2224；2241；2224；2224；2259
Collision Cross Section177.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2047511]
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 > 99.9% (1458 of 1459) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 1458 of 1459 companies (only < 0.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 1459 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1458 of 1459 reports by companies.；There is 1 notification provided by 1 of 1459 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Hexadecanoic acid, ethyl ester
Status: Active Update: 14-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23690
Hexadecanoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment；Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesNot Classified
Regulatory information
Regulatory Information
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular；Membrane
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Cosmetics -> Emollient
General Manufacturing InformationHexadecanoic acid, ethyl ester: ACTIVE
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
5 records
Compound notes
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