10-Undecynoic acid (HCID 31039)

개요

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

이름 및 식별자

우선 이름: 10-Undecynoic acid
IUPAC: undec-10-ynoic acid
영어명: 10-Undecynoic acid
분자식: C11H18O2
분자량: 182.26

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 8
무거운 원자 수: 13
형식 전하: 0
복잡도: 176

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점: 40 · 40-42 °C (lit.)
끓는 점: 180 °C/15 · 180 °C/15 mmHg (lit.)
밀도: 0.9898 · 0.9898 (rough estimate)
굴절률: 1.4066 · 1.4066 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.78 · 4.78±0.10(Predicted)
색상: 회백색
수용성: 물에 거의 용해되지 않습니다.
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
EPA: 10 · 10-Undecynoic acid (2777-65-3)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: YQ3683000
독성: mouse,LD50,intravenous,32mg/kg (32mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07969,
HS 번호: 29161900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-35119
F 고인화성물질: 10-23
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도10-Undecynoic Acid is a fatty acid used in the synthesis of copolyesters.

일반 설명10-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.