Basic information
- CAS
18281-05-5- Standard SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OCC- InChIKey
YBKSMWBLSBAFBQ-UHFFFAOYSA-N- Molecular formula
- C22H44O2
- Average molar mass
- 340.6 g/mol
- Monoisotopic mass
- 340.33413064
Overview
Ethyl arachidate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of arachidic (icosanoic) acid with the hydroxy group of ethanol. It is functionally related to an icosanoic acid.
Names & identifiers
- Preferred name
- Ethyl arachidate
- IUPAC
- ethyl icosanoate
- English name
- Arachidic acid ethyl ester
- Molecular formula
- C22H44O2
- Molecular weight
- 340.58
Names & synonyms
Ethyl icosanoateEthyl arachidateEicosanoic acid, ethyl esterETHYL EICOSANOATEEthyl ArachateArachidic acid, ethyl esterUNII-KKI20ZX76XKKI20ZX76XCHEBI:84859DTXSID50171335Ethyl arachidic acidEthyl eicosanoic acid
Show more names
Ethyl Arachidate >Ethyl Acetate Impurity 55EICOSANOIC ACID-ETHYL ESTERN-EICOSANOIC ACID ETHYL ESTER
Arachidate, ethyl esterEicosanoate, ethyl esterRefChem:138880DTXCID7093826YBKSMWBLSBAFBQ-UHFFFAOYSA-N18281-05-5Arachidic acid ethyl esterIcosanoic Acid Ethyl Ester
Database identifiers
- CAS
18281-05-5- PubChem CID
- 29009
- DTXSID
DTXSID50171335- ChEBI
CHEBI:84859- UNII
- KKI20ZX76X
- Nikkaji
- J207.936D
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 20
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 44 °C · 44°C
- Boiling point
- 215 °C · 215 °C / 10mmHg
- Density
- 0.8775 · 0.8775 (rough estimate)
- refractive index
- 1.4385 · 1.4385 (estimate)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- almost transparency in hot Methanol
- form
- powder to crystal
- color
- White to Almost white
- biological source
- synthetic (organic)
- Merck
- 14 · 14,764
- InChI
- 1S/C22H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h3-21H2,1-2H3
- InChIKey
- YBKSMWBLSBAFBQ-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCCCC(=O)OCC
- LogP
- 10.27 · 10.270 (est)
- CAS DataBase Reference
- 18281 · 18281-05-5(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationEicosanoic acid, ethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29159000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesEthyl Arachate has been found in a neutral fraction from Shoyu (soy sauce) flavor component.
Suppliers89 total
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]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
上海钰源生物化学有限公司021-13814116 13814116708 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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