부틸알데히드

3-Butyn-1-OL

HCID 13566CAS 927-74-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C#CCCO
InChIKey
OTJZCIYGRUNXTP-UHFFFAOYSA-N
분자식
C4H6O
평균 분자량
70.09 g/mol
단동위원소 질량
70.04186481

개요

But-3-yn-1-ol is a terminal acetylenic compound that is but-1-yne with one of the methyl hydrogens substituted by a hydroxy group. It is a member of butyn-1-ols and a terminal acetylenic compound.

이름 및 식별자

우선 이름
3-Butyn-1-OL
IUPAC
but-3-yn-1-ol
현지명
부틸알데히드
영어명
3-Butyn-1-ol
분자식
C4H6O
분자량
70.09

이름 및 동의어

3-BUTYN-1-OL927-74-2But-3-yn-1-ol3-Butynol3-Butynyl alcohol1-Butyn-4-ol4-Hydroxy-1-butyneNSC-9708DTXSID1022136P74L430293CHEBI:27444RefChem:93308
이름 더 보기
3-뷰틴-1-올부틸알데히드3-부틴-1-올2-하이드로에틸아세틸렌3-부테닐알코올3-부틴-1-ol3-Bytyn-1-olButyn-1-ol3-butyn-1-0l
DTXCID702136213-161-93-Butyne-1-ol2-Hydroxyethylacetylenehomopropargyl alcohol(2-Hydroxyethyl)acetyleneMFCD000029554-hydroxy-butyne

데이터베이스 식별자

CAS
927-74-2
PubChem CID
13566
DTXSID
DTXSID1022136
ChEBI
CHEBI:27444
UNII
P74L430293
EC Number
213-161-9
Nikkaji
J1.744B

물성

구조 계산 물성

XLogP
0.1
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
5

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
-63.6 °C · -63.6 °C (lit.)
끓는 점
128.9 °C · 128.9 °C (lit.)
밀도
0.926 g/mL · 0.926 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.441(lit.)
인화점
97 °F · 97 °F
저장 조건
Keep in dark place,Sealed in dry,Room Temperature

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 24-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17378

3-Butyn-1-ol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryIntravenous LD50 (mouse) = 100 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
ES0710000
ridadr
UN 1986 3/PG 3
HS 번호
29052990
risk_code
10-36/37/38

화학 및 산업

용도 및 제조

General Manufacturing Information3-Butyn-1-ol: ACTIVE

응용 분야

용도(3-Butyn-1-ol) Alkynyl substrate used in a study of a palladium-catalyzed coupling with β-tetrionic acid bromide leading to alkynyl substituted furanones in good yield.1

일반 설명The enthalpies of combustion and vaporization of 3-butyn-1-ol is measured by static bomb combustion calorimetry and correlation gas chromatography techniques.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [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]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

추가 설명

정의ChEBI: A terminal acetylenic compound that is but-1-yne with one of the methyl hydrogens substituted by a hydroxy group.

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