5-Hexynoic acid (HCID 143036)

개요

Hex-5-ynoic acid is a hexynoic acid in which the triple bond is between the carbons at positions 5 and 6. It is a hexynoic acid and a terminal acetylenic compound.

이름 및 식별자

우선 이름: 5-Hexynoic acid
IUPAC: hex-5-ynoic acid
영어명: 5-Hexynoic acid
분자식: C6H8O2
분자량: 112.13

이름 및 동의어

5-Hexynoic acidhex-5-ynoic acid5-Hexyn-1-oic acidCHEBI:73511DTXSID60201415RefChem:102722DTXCID60123906610-982-8VPFMEXRVUOPYRG-UHFFFAOYSA-N53293-00-84-Ethynylbutyric acidMFCD00066346

이름 더 보기

5-hexyne acid5-HexynoicAcid>5-Hexynoicacid,97%5-hexynoic acid GMPRARECHEM AL BO 1092TIMTEC-BB SBB0090905-HEXYNOIC ACID 98%

5-HEXYNOICACID5-Hexynoic acid, 97%cid_143036BDBM46128LMFA01030500CS-W009272PB42991EN300-111911

데이터베이스 식별자

CAS: 53293-00-8
PubChem CID: 143036
DTXSID: DTXSID60201415
ChEMBL: CHEMBL1525859
ChEBI: CHEBI:73511
EC Number: 610-982-8
Nikkaji: J110.916B

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 118

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점: 27 °C · 27°C (estimate)
끓는 점: 224 · 224-225 °C(lit.)
밀도: 1.016 g/mL · 1.016 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.449(lit.)
인화점: 230 °F · 230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 10 mg/mlMethanol: · Acetonitrile: Soluble: =10 mg/mlMethanol: Soluble: =10 mg/ml
산도 계수 (pKa): 4 · 4+-.0.10(Predicted)
물리적 상태: 액체
색상: 노란색
수용성: 물과 섞일 수 있습니다.
BRN: 1743192 · 1743192
InChI: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8)
InChIKey: VPFMEXRVUOPYRG-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCC#C

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 3.6% (2 of 55) of reports.

Danger

H314 (21.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1C (21.8%)

안전 데이터

wgk: 3
ridadr: 3265
HS 번호: 29161900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 8
F 고인화성물질: 10-23
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도5-Hexynoic acid is used in the preparation of hex-5-ynoic acid methyl ester by using p-toluenesulfonic acid as a reagent. It is also involved in chemical synthesis.

일반 설명5-Hexynoic acid is an alkynoic acid. It undergoes gold-catalyzed cyclization to form the corresponding methylene lactones.

상·하류 제품 정보

하류 제품

에폭시-2-시클로헥센-1-온 3-메톡시-2-사이클로헥센-1-온 4-acetylbutyric acid 2-메틸-1H-인돌-3-프로판산 N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)hex-5-ynamide 3,5-dichlorobenzyl 4-(4-(1H-1,2,3-triazol-4-yl)butanamido)piperidine-1-carboxylate

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

추가 설명

정의ChEBI: A hexynoic acid in which the triple bond is between the carbons at positions 5 and 6.

연결된 노트

불러오는 중…

5-Hexynoic acid

기본 정보

개요