Ethyl 2-butynoate

HCID 78043CAS 4341-76-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC#CC(=O)OCC
InChIKey
FCJJZKCJURDYNF-UHFFFAOYSA-N
분자식
C6H8O2
평균 분자량
112.13 g/mol
단동위원소 질량
112.05242949

이름 및 식별자

우선 이름
Ethyl 2-butynoate
IUPAC
ethyl but-2-ynoate
영어명
Ethyl 2-butynoate
분자식
C6H8O2
분자량
112.13

이름 및 동의어

Ethyl 2-butynoate4341-76-8Ethyl tetrolate6UG3A7S3GBDTXSID20195846RefChem:594264DTXCID60118337224-395-6ethyl but-2-ynoate2-Butynoic Acid Ethyl Ester2-Butynoic acid, ethyl esterbut-2-ynoic acid ethyl ester
이름 더 보기
2-butynoateEthyl ButynoateEthyltetrolate,Tethyle2-butynoateEthyl2-butynoate,98+%Ethyl 2-butynoate, 95%Ethyl 3-methylpropiolate
MFCD00015182ETHYL-2-BUTYNOATETetrolic Acid Ethyl EsterEthyl 2-butynoate, 98%ethyl but-2-ynoatAS-14742T1052Ethyl2-butynoate

데이터베이스 식별자

CAS
4341-76-8
PubChem CID
78043
DTXSID
DTXSID20195846
ChEMBL
CHEMBL4094027
UNII
6UG3A7S3GB
EC Number
224-395-6
Nikkaji
J2.513.905D、J205.719K

물성

구조 계산 물성

XLogP
1.5
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
8

물리화학적 성질

끓는 점
160 · 160-161 °C/730 mmHg (lit.)
밀도
0.962 g/mL · 0.962 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.436(lit.)
인화점
145 °F · 145 °F
저장 조건
2 · Inert atmosphere,2-8°C
용해도
클로로포름, 에틸아세테이트에 용해됨

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (10.4%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (10.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

안전 데이터

wgk
3
ridadr
1993
HS 번호
29161900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

응용 분야 · 2건

용도Ethyl 2-butynoate is used as a precursor for the synthesis of 3-ethyl, 1-methyl 1-(2-nitrophenyl)-cyclopent-3-ene-1,3-dicarboxylate, alkenylsilanols and tricyclic aziridine derivatives. It acts as a methanogenesis inhibitor. As an electron deficient alkyne derivative, it plays a vital role in the preparation of 1,3-dienes catalyzed by rhodium(I)/H8-BINAP complex.

일반 설명Ethyl 2-butynoate, a 2-alkynoate is a methanogenesis inhibitor. It is an electron deficient internal alkyne that has been reported to undergo codimerization with alkenes to form 1,3-dienes catalyzed by rhodium(I)/H8-BINAP complex. The annulation of thioamides with ethyl 2-butynoate catalyzed by tri-n-butylphosphine to form thiazolines has been investigated.

상·하류 제품 정보

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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