Diallyl malonate

HCID 228227CAS 1797-75-7

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Basic information

Standard SMILES: C=CCOC(=O)CC(=O)OCC=C
InChIKey: AOESAXAWXYJFNC-UHFFFAOYSA-N
Molecular formula: C9H12O4
Average molar mass: 184.19 g/mol
Monoisotopic mass: 184.07355886

Names & identifiers

Preferred name: Diallyl malonate
IUPAC: bis(prop-2-enyl) propanedioate
English name: DIALLYL MALONATE
Molecular formula: C9H12O4
Molecular weight: 184.19

Names & synonyms

DIALLYL MALONATEDTXSID20281238RefChem:132595DTXCID30232392801-267-3AOESAXAWXYJFNC-UHFFFAOYSA-N1797-75-7bis(prop-2-enyl) propanedioateMFCD000481781,3-bis(prop-2-en-1-yl) propanedioatemalonic acid diallyl esterNSC20961

Show more names

Propanedioic acid, 1,3-di-2-propen-1-yl estercarbamic acid 3-[1-(2-carbamoyloxyethyl)-5-[(3,5-dichlorophenyl)thio]-4-propan-2-yl-2-imidazolyl]propyl ester

diallyl propanedioatePropanedioic acid, di-2-propenyl esterdiprop-2-enyl propanedioateSCHEMBL57069Diallyl malonate (stabilised)Di(prop-2-en-1-yl) propanedioatediprop-2-enyl propane-1,3-dioateNSC-20961

Database identifiers

CAS: 1797-75-7
PubChem CID: 228227
DTXSID: DTXSID20281238
EC Number: 801-267-3
Nikkaji: J40.629E

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 13
Formal charge: 0
Complexity: 186

Physicochemical properties

Boiling point: 110 · 110-112°C 9mm
Density: 1.057 · 1.057±0.06 g/cm3(Predicted)
pka: 11.51 · 11.51±0.46(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36

Safety & regulation

GHS classification

GHS Classification · 4 items

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

risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P