기본 정보
- CAS
2960-66-9- 표준 SMILES
CCOC(=O)/C=C/C=O- InChIKey
SDGAEBKMHIPSAC-ONEGZZNKSA-N- 분자식
- C6H8O3
- 평균 분자량
- 128.13 g/mol
- 단동위원소 질량
- 128.04734411
이름 및 식별자
- 우선 이름
- Ethyl (2E)-4-oxo-2-butenoate
- IUPAC
- ethyl (E)-4-oxobut-2-enoate
- 현지명
- 에틸트랜스-4-옥소-2-부테노에이트
- 영어명
- Ethyl trans-4-oxo-2-butenoate
- 분자식
- C6H8O3
- 분자량
- 128.13
이름 및 동의어
2960-66-9ethyl (2E)-4-oxo-2-butenoateRefChem:341698Ethyl trans-4-oxo-2-butenoate(E)-Ethyl 4-oxobut-2-enoateEthyl (E)-4-oxobut-2-enoateEthyl 4-oxobut-2-enoate2-Butenoic acid, 4-oxo-, ethyl ester, (2E)-MFCD00236170ethyl (2e)-4-oxobut-2-enoateethyl-(E)-4-oxobutenoateethyl-4-oxo-trans-2-butenoate
이름 더 보기
에틸트랜스-4-옥소-2-부테노에이트ethyl fumaraldehydateethyl 3-formylacrylateMinodronic Acid Impurity 24trans-4-oxo-2-butenoate, 96%Ethyl trans-4-oxy-2-butenoate
SCHEMBL1138071ethyl (E)-4-oxo-2-butenoateDTXSID501309387AKOS015950671LS-13139(E)-4-oxo-but-2-enoic acid ethyl esterEN300-2008947SCHEMBL1138075
데이터베이스 식별자
- CAS
2960-66-9- PubChem CID
- 7019541
- DTXSID
DTXSID501309387- EC Number
- 639-696-1
- Nikkaji
- J1.819.078H、J623.196I
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 126
물리화학적 성질
- 녹는점
- -9 °C · -9°C
- 끓는 점
- 184 · 184-188°C
- 밀도
- 1 · 1,063 g/cm3
- 굴절률
- 1.455 · 1.4550
- 인화점
- 68 °C · 68°C
- 저장 조건
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 수용성
- 물에 약간 용해됩니다(25°C에서 2.6g/L).
- BRN
- 8762336 · 8762336
화학적 성질
Clear yellow-green liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (40%): Fatal if swallowed [Danger Acute toxicity, oral]；H301 (60%): Toxic if swallowed [Danger Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (20%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (10%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (10%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (30%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 6 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 CategoriesAcute Tox. 3 (60%)；Skin Corr. 1B (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (20%)；STOT SE 3 (10%)；Aquatic Acute 1 (10%)；Aquatic Chronic 1 (30%)
안전 데이터
- ridadr
- 2927
- HS 번호
- 29183000
- risk_code
- 25-34-43
- safety_code
- 23-36/37/39-45-24/25
화학 및 산업
응용 분야
용도Ethyl trans-4-oxo-2-butenoate is an intermediate used to synthesize pharmaceutically active molecules. It is also used in the asymmetric catalytic alkynylation of acetaldehyde, producing attractive synthons with broad applications, such as (+)-Tetrahydropyrenophorol.
상·하류 제품 정보
하류 제품
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
上海凛南医药科技有限公司15900633975;13262632028
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
北京海步医药科技有限公司67886402 15600038801 · [email protected]
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