Arachidyl arachidate
Basic information
- CAS
22432-80-0- Standard SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC- InChIKey
VJFBRZCPEBSUHG-UHFFFAOYSA-N- Molecular formula
- C40H80O2
- Average molar mass
- 593.1 g/mol
- Monoisotopic mass
- 592.61583179
Overview
arachidyl arachidate has been reported in Cissus quadrangularis with data available.
Names & identifiers
- Preferred name
- Arachidyl arachidate
- IUPAC
- icosyl icosanoate
- English name
- Arachidic acid arachidyl ester*crystalline
- Molecular formula
- C40H80O2
- Molecular weight
- 593.06
Names & synonyms
Arachidyl arachidateIcosyl icosanoateEicosyl eicosanoateEicosanoic acid, eicosyl estereicosanyl eicosanoateUNII-74971HLF1A74971HLF1AEINECS 244-995-1N-EICOSYL N-EICOSANOATE1-EICOSANOL, EICOSANOATEDTXSID5066798WE(20:0/20:0)
Show more names
Icosylicosanoateicosanoicacid,eicosylesterIcosanoic acid icosyl esterArachidic acid arachidyl ester*crystalline
arachidic acid arachidyl esterIcosyl icosanoic acidArachidyl arachidic acidEicosanyl eicosanoic acidRefChem:113681DTXCID9036696VJFBRZCPEBSUHG-UHFFFAOYSA-N22432-80-0
Database identifiers
- CAS
22432-80-0- PubChem CID
- 89711
- DTXSID
DTXSID5066798- UNII
- 74971HLF1A
- EC Number
- 244-995-1
- Nikkaji
- J110.946D
Properties
Computed structural properties
- XLogP
- 19.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 38
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 488
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Fatty Acids and Fats
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 589.1 · 589.1±18.0 °C(Predicted)
- Density
- 0.856 · 0.856±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- FDA UNII
- 74971 HLF1A · 74971HLF1A
- EPA Substance Registry System
- Eicosanoic acid, eicosyl ester (22432-80-0)
- 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.
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Arachidic acid.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEicosanoic acid, eicosyl ester: INACTIVE
Applications
UsesArachidyl arachidate (Icosyl icosanoate) is an ester product.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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