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

名称と識別子

優先名称: (2Z)-but-2-ene-1,4-diyl diacetate
IUPAC: [(Z)-4-acetyloxybut-2-enyl] acetate
現地名: cis-2-ブテン-1,4-ジオールジアセタート
英語名: cis-1,4-Diacetoxy-2-butene
分子式: C8H12O4
分子量: 172.18

名称と別名

(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

名称をさらに表示

cis-2-ブテン-1,4-ジオールジアセタートビス酢酸[(Z)-2-ブテン-1,4-ジイル](Z)-2-ブテン-1,4-ジオールビスアセタートビス酢酸(Z)-2-ブテン-1,4-ジイル(Z)-1,4-ジアセトキシ-2-ブテン(Z)-2-ブテン-1,4-ジイル=ジアセタートビス(酢酸)(Z)-2-ブテン-1,4-ジイル(Z)-2-ブテン-1,4-ジオールジアセタート二酢酸(Z)-2-ブテン-1,4-ジイル(2Z)-2-ブテン-1,4-ジオールジアセタートcis-1,4-ジアセトキシ-2-ブテンcis-2-ブテン-1,4-ジオールジアセタート酢酸[(Z)-4-アセトキシ-2-ブテニル](Z)-1,4-ビスアセトキシ-2-ブテン二酢酸((Z)-2-ブテン-1,4-ジイル)ジ酢酸(Z)-2-ブテン-1,4-ジイル(2Z)-4-(アセチルオキシ)ブタ-2-エン-1-イルアセタート2-ブテニレン=ジアセタート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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.3
極性表面積: 52.6 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 12
形式電荷: 0
複雑度: 163

物理化学的性質

沸点: 120 · 120-121 °C/18 mmHg (lit.)
比重(密度): 1.08 g/mL · 1.08 g/mL at 25 °C (lit.)
蒸気圧: 0.24 · 0.24-13.1Pa at 20-50℃
屈折率: 1.4416 · 1.4416
闪点: 110 °C · >110°C
貯蔵温度: 2 · 2-8°C
外見: 液体
色: 無色透明
水溶解度: 水には混和しません。
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
CAS データベース: 25260 · 25260-60-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

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%)

法規制情報

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

安全データ

wgk: 3
hs_code: 29161995
risk_code: 36/37/38
化審法: (2)-3305
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36/37/39-36
Hazard Classifications: Skin Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

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

一般的な説明cis-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.

上流・下流製品情報

上流原料

酢酸アリル酢酸イソプロペニル cis-2-ブテン-1,4-ジオール無水酢酸トリエチルアミンテトラヒドロフラン

サプライヤー49 社

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]

cis-2-ブテン-1,4-ジオールジアセタート

基本情報