10-メチルウンデカン酸

10-Methylundecanoic acid

HCID 75942CAS 2724-56-3

基本情報

標準SMILES: CC(C)CCCCCCCCC(=O)O
InChIKey: QJRRBVNPIKYRQJ-UHFFFAOYSA-N
分子式: C12H24O2
平均分子量: 200.32 g/mol
単同位体質量: 200.17763001

概要

10-methylundecanoic acid is a methyl-branched fatty acid that is undecanoic acid substituted by a methyl group at position 10. It is a branched-chain saturated fatty acid, a medium-chain fatty acid and a methyl-branched fatty acid. It is functionally related to an undecanoic acid.

名称と識別子

優先名称: 10-Methylundecanoic acid
IUPAC: 10-methylundecanoic acid
現地名: 10-メチルウンデカン酸
英語名: 10-METHYLUNDECANOIC ACID
分子式: C12H24O2
分子量: 200.32

名称と別名

10-Methylundecanoic acid2724-56-310-methylundecylic acidCHEBI:84889DTXSID70181693RefChem:437050DTXCID10104184636-654-4isolauric acidUndecanoic acid, 10-methyl-Isoundecanoic acid10-methyl-undecanoic acid

名称をさらに表示

10-メチルウンデカン酸イソラウリル酸JARIC I-12

Isododecanoic acidUndecanoic acid,10-methyl-10-METHYLUNDECANOICACID10-methylundecanoicaciAI3-0599910-methyl-hendecanoic acidSCHEMBL839386SCHEMBL10800219

データベース識別子

CAS: 2724-56-3
PubChem CID: 75942
DTXSID: DTXSID70181693
ChEBI: CHEBI:84889
EC Number: 636-654-4
Nikkaji: J330.690I

物性

構造計算による物性

XLogP: 4.9
極性表面積: 37.3 Å²
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: 9
重原子数: 14
形式電荷: 0
複雑度: 141

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: 38 · 38-39 °C
沸点: 293.36 °C · 293.36°C (estimate)
比重(密度): 0.891 · 0.8910 (rough estimate)
屈折率: 1.4251 · 1.4251 (estimate)
貯蔵温度: 20 °C · −20°C
外見: 液体
酸解離定数(Pka): 4.78 · 4.78±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

化学と産業

サプライヤー18 社

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]

武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]

武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]

Alfa Chemistry1-516-6625404 · [email protected]

補足説明

定義ChEBI: A methyl-branched fatty acid that is undecanoic acid substituted by a methyl group at position 10.