(E)-2-ブテン二酸ジアリル

Diallyl fumarate

HCID 5355330CAS 118569-89-4

部分構造検索類似構造を探す

基本情報

標準SMILES: C=CCOC(=O)/C=C/C(=O)OCC=C
InChIKey: ZPOLOEWJWXZUSP-AATRIKPKSA-N
分子式: C10H12O4
平均分子量: 196.2 g/mol
単同位体質量: 196.07355886

概要

See also: 2-Butenedioic acid, (Z)-, di-2-propenyl ester (annotation moved to).

名称と識別子

優先名称: Diallyl fumarate
IUPAC: bis(prop-2-enyl) (E)-but-2-enedioate
英語名: DIALLYL FUMARATE
分子式: C10H12O4
分子量: 196.2

名称と別名

Diallyl fumarate2807-54-7Fumaric acid, diallyl ester2-Butenedioic acid (E)-, di-2-propenyl esterUNII-K852LK4C5PK852LK4C5PEINECS 220-549-1NSC 32641NSC-326412-Butenedioic acid (2E)-, di-2-propenyl esterAI3-06585DTXSID8062650

名称をさらに表示

bis(prop-2-enyl) (E)-but-2-enedioate2-Butenedioic acid, 1,4-di-2-propen-1-yl ester

DIPROP-2-ENYL (E)-BUT-2-ENEDIOATE2-Butenedioic acid, di-2-propenyl ester, (E)-RefChem:132589DTXCID00209910Fumaric acid, diallyl ester (8CI)2-Butenedioic acid (E)-, di-2-propenyl ester (9CI)220-549-1ZPOLOEWJWXZUSP-AATRIKPKSA-N

データベース識別子

CAS: 118569-89-4、2807-54-7、999-21-3
PubChem CID: 5355330
DTXSID: DTXSID8062650
UNII: K852LK4C5P
EC Number: 213-658-0、220-549-1、631-450-1
Nikkaji: J102.154K

物性

構造計算による物性

XLogP: 1.5
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: 8
重原子数: 14
形式電荷: 0
複雑度: 227

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

Food Contact Substances · 2 件

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionLiquid

物理化学的性質

沸点: 142 · 142-143 °C(Press: 28 Torr)
比重(密度): 0.0764 · 0.0764-0.0768 g/cm³

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301 (90%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 90 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

危険有害性情報

Regulatory Information · 3 件

2-Butenedioic acid (2Z)-, 1,4-di-2-propen-1-yl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butenedioic acid (2Z)-, 1,4-di-2-propen-1-yl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 16-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23360

2-Butenedioic acid (2Z)-, di-2-propenyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 件

Acute Tox. 3 (90%)

Acute Tox. 3 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H301

化学と産業

用途と製造

U.S. Production2023: <50,000 lb

Industry UsesIntermediate

General Manufacturing Information · 3 件

All Other Basic Organic Chemical Manufacturing

2-Butenedioic acid (2Z)-, 1,4-di-2-propen-1-yl ester: ACTIVE

2-Butenedioic acid (2E)-, 1,4-di-2-propen-1-yl ester: ACTIVE

サプライヤー6 社

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]