(2Z)-but-2-ene-1,4-diyl diacetate (HCID 643799)

이름 및 식별자

우선 이름: (2Z)-but-2-ene-1,4-diyl diacetate
IUPAC: [(Z)-4-acetyloxybut-2-enyl] acetate
영어명: cis-1,4-Diacetoxy-2-butene
분자식: C8H12O4
분자량: 172.18

이름 및 동의어

(2Z)-but-2-ene-1,4-diyl diacetateEC 607-674-02-butene-1,4-diol, diacetate, (2Z)-RefChem:3991752-Butene-1,4-diol, 1,4-diacetate, (2Z)-607-674-0InChI=1/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3cis-1,4-Diacetoxy-2-butene(Z)-But-2-ene-1,4-diyl diacetate25260-60-0[(Z)-4-acetyloxybut-2-enyl] acetatecis-2-Butene-1,4-diol diacetate

이름 더 보기

TIMTEC-BB SBB008422CIS-DIACETOXY-2-BUTENECIS-2-BUTENE-1,4-DIACETATEcis-1,4-Diacetoxy-2-butene 95%cis-1,4-Diacetoxy-2-butene >CIS-2-BUTENE-1,4-DIOL DIACETATE(Z)-2-Butene-1,4-diyl diacetate(Z)-2-Butene-1,4-diol diacetate

cis-2-buten-1,4-diol diacetatecis-1,4-Diacetoxy-2-butene, 95%But-2-ene-1,4-diyl (Z)-DiacetateD1358D89843(2Z)-4-acetyloxybut-2-enyl acetateMFCD00059339MFCD00077968

데이터베이스 식별자

CAS: 25260-60-0
PubChem CID: 643799
EC Number: 607-674-0
Nikkaji: J147.995D

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 12
형식 전하: 0
복잡도: 163

물리화학적 성질

끓는 점: 120 · 120-121 °C/18 mmHg (lit.)
밀도: 1.08 g/mL · 1.08 g/mL at 25 °C (lit.)
증기압: 0.24 · 0.24-13.1Pa at 20-50℃
굴절률: 1.4416 · 1.4416
인화점: 110 °C · >110°C
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 무색의
수용성: 물과 섞이지 않습니다.
BRN: 1724379 · 1724379
InChI: 1S/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3-
InChIKey: VZUAUHWZIKOMFC-ARJAWSKDSA-N
SMILES: [H]\C(COC(C)=O)=C(/[H])COC(C)=O
LogP: -0.1 · -0.1-1.1 at 25℃ and pH3.3

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.；There are 3 notifications provided by 40 of 41 reports by companies with hazard statement code(s).；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

Regulatory InformationStatus: Active Update: 06-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5231

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)；Eye Irrit. 2 (95.1%)；STOT SE 3 (95.1%)

규제 정보

Regulatory InformationStatus: Active Update: 06-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5231

안전 데이터

wgk: 3
HS 번호: 29161995
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36
기존화학 물질: KE-04122
Hazard Classifications: Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도cis-1,4-Diacetoxy-2-butene is used as an organic chemical synthesis intermediate.

일반 설명cis-1,4-Diacetoxy-2-butene is an ester. Ruthenium olefin metathesis catalysts having cyclic (alkyl)(amino)carbenes effectively catalyzes the cross-metathesis of cis-1,4-diacetoxy-2-butene with allylbenzene. cis-1,4-Diacetoxy-2-butene on pyrolysis affords 1-acetoxy-1,3-butadiene, a diacetate and an isomeric 1,2-diacetoxy-3-butene. Mechanism of pyrolysis has been investigated.

상·하류 제품 정보

상류 원료

공급사49 곳

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

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

연결된 노트

불러오는 중…

(2Z)-but-2-ene-1,4-diyl diacetate

기본 정보