기본 정보
- 표준 SMILES
C=CCOC(=O)/C=C/C(=O)OCC=C- InChIKey
ZPOLOEWJWXZUSP-AATRIKPKSA-N- 분자식
- C10H12O4
- 평균 분자량
- 196.2 g/mol
- 단동위원소 질량
- 196.07355886
개요
See also: 2-Butenedioic acid, (Z)-, di-2-propenyl ester (annotation moved to).
이름 및 식별자
- 우선 이름
- Diallyl fumarate
- IUPAC
- bis(prop-2-enyl) (E)-but-2-enedioate
- 영어명
- DIALLYL FUMARATE
- 분자식
- C10H12O4
- 분자량
- 196.2
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 227
실험 및 물리화학적 성질
SpringerMaterials PropertiesOptical coefficient
Food Contact Substances
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 142 · 142-143 °C(Press: 28 Torr)
- 밀도
- 0.0764 · 0.0764-0.0768 g/cm³
안전 및 규제
GHS 분류
GHS Classification
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]
유해성 정보
Regulatory Information
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
Acute Tox. 3 (90%)
Acute Tox. 3 (100%)
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H301
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
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
공급사6 곳
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]
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