基本情報
- CAS
36332-93-1- 標準SMILES
CCC(C)CCCCCCCCCCCCCCCCC(=O)O- InChIKey
WSRCOZWDQPJAQT-UHFFFAOYSA-N- 分子式
- C21H42O2
- 平均分子量
- 326.6 g/mol
- 単同位体質量
- 326.31848058
概要
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.
名称と識別子
- 優先名称
- 18-Methyleicosanoic acid
- IUPAC
- 18-methylicosanoic acid
- 現地名
- 18-メチルエイコサン酸
- 英語名
- 18-methyleicosanoic acid
- 分子式
- C21H42O2
- 分子量
- 326.56
名称と別名
18-Methyleicosanoic acid18-methylicosanoic acid36332-93-1Methylarachidic acidAnteisoheneicosanoic acid18-MEAEicosanoic acid, 18-methyl-7STP871R4SCHEBI:84877DTXSID201312907RefChem:79386DTXCID60219479
名称をさらに表示
18-メチルエイコサン酸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
データベース識別子
- CAS
36332-93-1- PubChem CID
- 5282602
- DTXSID
DTXSID201312907- ChEBI
CHEBI:84877- UNII
- 7STP871R4S
- Nikkaji
- J1.315.398A
物性
構造計算による物性
- XLogP
- 9.5
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 18
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 250
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
物理化学的性質
- 融点
- 55.6 °C · 55.6 °C
- 沸点
- 443.2 · 443.2±13.0 °C(Predicted)
- 比重(密度)
- 0.882 · 0.882±0.06 g/cm3(Predicted)
- 溶解性
- 50 mg/ml; · DMF: 50 mg/ml; DMSO: 30 mg/ml; Ethanol: 10 mg/ml
- 外見
- A crystalline solid
- 酸解離定数(Pka)
- 4.78 · 4.78±0.10(Predicted)
- 化粧品成分の機能
- ヘアコンディショニング
化学と産業
応用分野
説明18-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.
使用18-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.
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