11-Hydroxyundecanoic acid

HCID 77237CAS 3669-80-5

기본 정보

표준 SMILES: O=C(O)CCCCCCCCCCO
InChIKey: KNRCBASNXNXUQQ-UHFFFAOYSA-N
분자식: C11H22O3
평균 분자량: 202.29 g/mol
단동위원소 질량: 202.15689456

개요

11-hydroxyundecanoic acid is an -hydroxy fatty acid that is undecanoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group. It is an omega-hydroxy-medium-chain fatty acid and a straight-chain fatty acid. It is functionally related to an undecanoic acid.

이름 및 식별자

우선 이름: 11-Hydroxyundecanoic acid
IUPAC: 11-hydroxyundecanoic acid
영어명: 11-Hydroxyundecanoic acid
분자식: C11H22O3
분자량: 202.29

이름 및 동의어

11-Hydroxyundecanoic acid3669-80-5Undecanoic acid, 11-hydroxy-SD6J9LX2XKomega-hydroxyhendecanoic acid11-HUDACHEBI:79126EINECS 222-932-9DTXSID40190136RefChem:437253DTXCID50112627222-932-9

이름 더 보기

1-HYDROXYUNDECANOIC ACIDTIMTEC-BB SBB00909611-hydroxyundecanoate11-HYDROXYUNDECYLIC ACID11-HYDROXYUNDECANOIC ACID 98%11-Hydroxyundecanoic acid,98%11-hydroxyundecanoic acid CAS NO.3669-80-5

omega-hydroxy hendecanoic acidMFCD0004156411-hydroxy-undecanoic acidUNII-SD6J9LX2XKSTK090724AKOS005394200GS-0673CS-0204838

데이터베이스 식별자

CAS: 3669-80-5
PubChem CID: 77237
DTXSID: DTXSID40190136
ChEBI: CHEBI:79126
UNII: SD6J9LX2XK
EC Number: 222-932-9
Nikkaji: J205.584H

물성

구조 계산 물성

XLogP: 3
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 10
무거운 원자 수: 14
형식 전하: 0
복잡도: 134

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]

물리화학적 성질

녹는점: 65 · 65-69 °C
끓는 점: 280.42 °C · 280.42°C (rough estimate)
밀도: 1.027 · 1.0270 (rough estimate)
굴절률: 1.4174 · 1.4174 (estimate)
저장 조건: Store at room temperature
용해도: 에 용해됨클로로포름, DCM, 에틸아세테이트, 메탄올
물리적 상태: 고체
산도 계수 (pKa): 4.78 · 4.78±0.10(Predicted)
색상: 하얀색
InChI: InChI=1S/C11H22O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1-10H2,(H,13,14)
InChIKey: KNRCBASNXNXUQQ-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCCCCCCCCO
LogP: 2.49 · 2.490 (est)

화학적 성질

WHITE POWDER AND CHUNKS

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 39 reports by companies from 2 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
HS 번호: 29181998
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도11-Hydroxyundecanoic acid can be prepared by employing the following starting reagents:10-undecenoic acidundecylenic acid and hydrobromic acidmethyl 11-bromoundecanoatericinoleic acid (12-hydroxyoleic acid)

상·하류 제품 정보

상류 원료

Undecanal, 11-hydroxy-메틸11-하이드록시운데카노에이트 (+/-)-2-하이드록시운데칸산 11-아미노운데칸산 시스-11-테트라데켄-1-일 아세트산 10-Undecynoic acid 메틸11-브로모운데카노에이트 운데카놀라이드 1,11-운데칸디올 시스-11-테트라데켄-1-올 11-브로모운데칸산 운데실렌산

공급사50 곳

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

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

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

추가 설명

정의ChEBI: An omega-hydroxy fatty acid that is undecanoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group.

연결된 노트

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