Diallyl oxalate
Basic information
- CAS
615-99-6- Standard SMILES
C=CCOC(=O)C(=O)OCC=C- InChIKey
BKXRKRANFLFTFU-UHFFFAOYSA-N- Molecular formula
- C8H10O4
- Average molar mass
- 170.16 g/mol
- Monoisotopic mass
- 170.0579088
Names & identifiers
- Preferred name
- Diallyl oxalate
- IUPAC
- bis(prop-2-enyl) oxalate
- English name
- DIALLYL OXALATE
- Molecular formula
- C8H10O4
- Molecular weight
- 170.16
Names & synonyms
Diallyl oxalateOxalic acid, diallyl esterEthanedioic acid, di-2-propenyl esterEthanedioic acid, 1,2-di-2-propen-1-yl esterI61CO7YD18NSC 4786NSC-4786EINECS 210-458-5UNII-I61CO7YD18DTXSID9060659RefChem:132596DTXCID4043068
Show more names
(COOCH2CH=CH2)2diprop-2-enyl oxalatediprop-2-enyl ethanedioateethanedioicacid,di-2-propenylester
210-458-5BKXRKRANFLFTFU-UHFFFAOYSA-N615-99-6bis(prop-2-en-1-yl) oxalateDIALLYLOXALATEbis(prop-2-enyl) oxalateoxalic acid diallyl esterMFCD00053698
Database identifiers
- CAS
615-99-6- PubChem CID
- 69215
- DTXSID
DTXSID9060659- UNII
- I61CO7YD18
- EC Number
- 210-458-5
- Nikkaji
- J95.533G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 85 · 85-86°C 3mm
- Density
- 1.1582 · 1.1582
- refractive index
- 1.4481 · 1.4481 (estimate)
- FDA UNII
- 61 CO7YD18 · I61CO7YD18
- EPA Substance Registry System
- -2 · Ethanedioic acid, di-2-propenyl ester (615-99-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P333+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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanedioic acid, 1,2-di-2-propen-1-yl ester: INACTIVE
Suppliers
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Related reactions
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Compound notes
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