10-Undecynoic acid (HCID 31039)

概要

10-undecynoic acid is a medium-chain fatty acid.

名称と識別子

優先名称: 10-Undecynoic acid
IUPAC: undec-10-ynoic acid
現地名: 10-ウンデシン酸
英語名: 10-Undecynoic acid
分子式: C11H18O2
分子量: 182.26

名称と別名

10-Undecynoic acid2777-65-32F79G7H1WYDTXSID2075219RefChem:77654DTXCID5037731220-471-8Undec-10-ynoic acidHendecynoic acidUNII-2F79G7H1WYMFCD00014389BRN 1704918

名称をさらに表示

10-ウンデシン酸ヘンデシン酸ウンデセ-10-イン酸10-ウンデシン酸, 97%ウンデカ-10-イン酸10-undecynoate10-cyanic acidundec-10-ynoicaciTIMTEC-BB SBB00848310-Undecynoic acid 95%LABOTEST-BB LT00233091

EINECS 220-471-8Undec-1-yn-11-oic acid10-HENDECYNOIC ACIDSCHEMBL40510CHEBI:1850544-02-00-01738 (Beilstein Handbook Reference)LMFA01030618AKOS001592014

データベース識別子

CAS: 2777-65-3
PubChem CID: 31039
DTXSID: DTXSID2075219
ChEBI: CHEBI:185054
UNII: 2F79G7H1WY
EC Number: 220-471-8
Nikkaji: J21.742E

物性

構造計算による物性

XLogP: 3.3
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: 8
重原子数: 13
形式電荷: 0
複雑度: 176

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]

物理化学的性質

融点: 40 · 40-42 °C (lit.)
沸点: 180 °C/15 · 180 °C/15 mmHg (lit.)
比重(密度): 0.9898 · 0.9898 (rough estimate)
屈折率: 1.4066 · 1.4066 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Refrigerator
溶解性: クロロホルム（微量）、酢酸エチル（微量）
外見: 個体
酸解離定数(Pka): 4.78 · 4.78±0.10(Predicted)
色: オフホワイト
水溶解度: 水にやや溶けにくい。
BRN: 1704918 · 1704918
InChI: InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1H,3-10H2,(H,12,13)
InChIKey: OAOUTNMJEFWJPO-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCCCCCCC#C
CAS データベース: 2777 · 2777-65-3(CAS DataBase Reference)
EPAの化学物質情報: 10 · 10-Undecynoic acid (2777-65-3)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 46 reports by companies from 6 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 (100%)

安全データ

F: 10-23
wgk: 3
rtecs: YQ3683000
毒性: mouse,LD50,intravenous,32mg/kg (32mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07969,
hs_code: 29161900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用10-Undecynoic Acid is a fatty acid used in the synthesis of copolyesters.

一般的な説明10-Undecynoic acid (10- UDYA, UDY) is an acetylenic fatty acid. It is reported as highly selective irreversible inhibitor of hepatic ω- and ω-1-lauric acid hydroxylases. Enzyme catalyzed esterification of 10-undecynoic acid has been reported. UDY has been reported to be synthesized by the dehydrobromination of 10-undecenoic acid.