Basic information
- CAS
615-81-6- Standard SMILES
CC(C)OC(=O)C(=O)OC(C)C- InChIKey
ITHNIFCFNUZYLQ-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920892
Names & identifiers
- Preferred name
- Diisopropyl oxalate
- IUPAC
- dipropan-2-yl oxalate
- English name
- diisopropyl oxalate
- Molecular formula
- C8H14O4
- Molecular weight
- 174.19
Names & synonyms
Diisopropyl oxalate615-81-6Ethanedioic acid, bis(1-methylethyl) esterAI3-11244EINECS 210-448-0DTXSID70210477NSC 4877RefChem:134070DTXCID70132968210-448-0InChI=1/C8H14O4/c1-5(2)11-7(9)8(10)12-6(3)4/h5-6H,1-4Hdipropan-2-yl oxalate
Show more names
synthesis-019Diisopropyl oxalate (95%)dipropan-2-yl ethanedioateEthanedioic acid, 1,2-bis(1-methylethyl) ester
isopropyl oxalatediisopropyloxalateNSC-4877OXALIC ACID DIISOPROPYL ESTERDi(propan-2-yl) ethanedioateSCHEMBL2979162C979BWD6TNSC4877
Database identifiers
- CAS
615-81-6- PubChem CID
- 69209
- DTXSID
DTXSID70210477- UNII
- 2C979BWD6T
- EC Number
- 210-448-0
- Nikkaji
- J43.451E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Experimental & physicochemical properties
CosmeticsChelating
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -30 °C · -30 °C
- Boiling point
- 190 °C · 190°C (estimate)
- Density
- 1.002 · 1.0020
- refractive index
- 1.41 · 1.4100 (estimate)
- Cosmetics Ingredients Functions
- SOLVENTPLASTICISERCHELATING
- LogP
- 1.412 · 1.412 (est)
- FDA UNII
- 2 C979BWD6T · 2C979BWD6T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H227
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501
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
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335-H227
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Chelating
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers19 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Related reactions
1 records
Compound notes
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