Basic information
- CAS
36332-93-1- Standard SMILES
CCC(C)CCCCCCCCCCCCCCCCC(=O)O- InChIKey
WSRCOZWDQPJAQT-UHFFFAOYSA-N- Molecular formula
- C21H42O2
- Average molar mass
- 326.6 g/mol
- Monoisotopic mass
- 326.31848058
Overview
18-methylicosanoic acid is a methyl-branched fatty acid that is arachidic acid substituted by a methyl group at position 18. It has a role as a mammalian metabolite. It is a long-chain fatty acid, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is functionally related to an icosanoic acid.
Names & identifiers
- Preferred name
- 18-Methyleicosanoic acid
- IUPAC
- 18-methylicosanoic acid
- English name
- 18-methyleicosanoic acid
- Molecular formula
- C21H42O2
- Molecular weight
- 326.56
Names & synonyms
18-Methyleicosanoic acid18-methylicosanoic acid36332-93-1Methylarachidic acidAnteisoheneicosanoic acid18-MEAEicosanoic acid, 18-methyl-7STP871R4SCHEBI:84877DTXSID201312907RefChem:79386DTXCID60219479
Show more names
WSRCOZWDQPJAQT-UHFFFAOYSA-N(+/-)-18-Methyl-d3-eicosanoic Acid(±)-18-Methyl-D3-Eicosanoic Acid (Standard)
18-methyl eicosanoic acidUNII-7STP871R4S(+)-18-methyl-eicosanoic acidLMFA0102001818-methylarachidic acidSCHEMBL336842(+)-18-methyl-icosanoic acidPD019744
Database identifiers
- CAS
36332-93-1- PubChem CID
- 5282602
- DTXSID
DTXSID201312907- ChEBI
CHEBI:84877- UNII
- 7STP871R4S
- Nikkaji
- J1.315.398A
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Physicochemical properties
- Melting point
- 55.6 °C · 55.6 °C
- Boiling point
- 443.2 · 443.2±13.0 °C(Predicted)
- Density
- 0.882 · 0.882±0.06 g/cm3(Predicted)
- solubility
- 50 mg/ml; · DMF: 50 mg/ml; DMSO: 30 mg/ml; Ethanol: 10 mg/ml
- form
- A crystalline solid
- pka
- 4.78 · 4.78±0.10(Predicted)
- Cosmetics Ingredients Functions
- HAIR CONDITIONING
- FDA UNII
- 7 STP871R4S · 7STP871R4S
Chemistry & industry
Applications
Description18-methyl Eicosanoic acid is a main component of the outer layer of the epicuticle of human hair and endows hydrophobicity to the outer hair surface. It is used as an additive to hair cosmetics due to its desirable conditioning effects.
Uses18-methyl Eicosanoic acid is a main component of the outer layer of the epicuticle of human hair and endows hydrophobicity to the outer hair surface. It is used as an additive to hair cosmetics due to its desirable conditioning effects.
Suppliers17 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
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河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
南京昊绿生物科技有限公司025-84622273 17361806303 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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