Basic information
- CAS
118569-89-4- Standard SMILES
C=CCOC(=O)/C=C/C(=O)OCC=C- InChIKey
ZPOLOEWJWXZUSP-AATRIKPKSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Overview
See also: 2-Butenedioic acid, (Z)-, di-2-propenyl ester (annotation moved to).
Names & identifiers
- Preferred name
- Diallyl fumarate
- IUPAC
- bis(prop-2-enyl) (E)-but-2-enedioate
- English name
- DIALLYL FUMARATE
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
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
Show more names
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
Database identifiers
- 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
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
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
Physicochemical properties
- Boiling point
- 142 · 142-143 °C(Press: 28 Torr)
- Density
- 0.0764 · 0.0764-0.0768 g/cm³
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 317 · H317-H301-H318
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310
Safety & regulation
GHS classification
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]
Hazard information
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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H317-H301-H318
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
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
Suppliers6 total
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]
SIGMAALDRICH—
Related reactions
1 records
Compound notes
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