Basic information
- Standard SMILES
C=CCOC(=O)CC(=C)C(=O)OCC=C- InChIKey
LOFFYVIZWSPGIT-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920893
Names & identifiers
- Preferred name
- Diallyl itaconate
- IUPAC
- bis(prop-2-enyl) 2-methylidenebutanedioate
- English name
- DIALLYL ITACONATE
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
Diallyl itaconateButanedioic acid, 2-methylene-, 1,4-di-2-propen-1-yl esterButanedioic acid, methylene-, di-2-propenyl esterSuccinic acid, methylene-, diallyl esterAI3-32327NSC 4699EINECS 220-448-2DTXSID5062635RefChem:132593DTXCID2037718220-448-22767-99-9
Show more names
2-methylenesuccinic acid diallyl esterdiprop-2-enyl 2-methylidenebutanedioate
1,4-BIS(PROP-2-EN-1-YL) 2-METHYLIDENEBUTANEDIOATENSC-4699diallylitaconatbis(prop-2-enyl) 2-methylidenebutanedioateQ3WR3NJ53XSCHEMBL216622NSC4699BUTANEDIOIC ACID,2-METHYLENE-, 1,4-DI-2-PROPEN-1-YL ESTER
Database identifiers
- CAS
2767-99-9- PubChem CID
- 76003
- DTXSID
DTXSID5062635- UNII
- Q3WR3NJ53X
- EC Number
- 220-448-2
- Nikkaji
- J38.892K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 130 · 130-132 °C(Press: 7 Torr)
- Density
- 1.039 · 1.039±0.06 g/cm3(Predicted)
- FDA UNII
- 3 WR3NJ53X · Q3WR3NJ53X
- EPA Substance Registry System
- -2 · Butanedioic acid, methylene-, di-2-propenyl ester (2767-99-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- RIDADR
- 2810 · 2810
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- tsca
- TSCA listed
- ridadr
- 2810
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanedioic acid, 2-methylene-, 1,4-di-2-propen-1-yl ester: ACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Linked notes
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