Carbonic acid, bis(2-methylpropyl) ester
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Basic information
- CAS
539-92-4- Standard SMILES
CC(C)COC(=O)OCC(C)C- InChIKey
UXXXZMDJQLPQPH-UHFFFAOYSA-N- Molecular formula
- C9H18O3
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.12559444
Names & identifiers
- Preferred name
- Carbonic acid, bis(2-methylpropyl) ester
- IUPAC
- bis(2-methylpropyl) carbonate
- English name
- Isobutyl carbonate
- Molecular formula
- C9H18O3
- Molecular weight
- 174.24
Names & synonyms
Diisobutyl carbonateCarbonic acid, bis(2-methylpropyl) esterUN7NR8B1XJdi-iso-butyl carbonateNSC 4009NSC-4009EINECS 208-730-3UNII-UN7NR8B1XJ(iso-C4H9O)2C(O)DTXSID4060236Carbonic acid, di-isobutyl esterRefChem:123591
Show more names
DIBCcarbonacidisobutyl ester2 6-DIMETHYL-4-HEPTYL ACETATEcarbonicacidbis-(2-methylpropyl)estercarbonicacid,bis(2-methylpropyl)ester
DTXCID3041532UXXXZMDJQLPQPH-UHFFFAOYSA-N539-92-4Isobutyl carbonatebis(2-methylpropyl) carbonateCarbonic acid, diisobutyl esterdiisobutylcarbonateMFCD00026479
Database identifiers
- CAS
539-92-4- PubChem CID
- 68321
- DTXSID
DTXSID4060236- UNII
- UN7NR8B1XJ
- EC Number
- 208-730-3
- Nikkaji
- J24.099K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 245.22 °C · 245.22°C (rough estimate)
- Density
- 0.9138 · 0.9138
- refractive index
- 1.4072 · 1.4072 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- CAS DataBase Reference
- 539 · 539-92-4
- FDA UNII
- 7 NR8B1XJ · UN7NR8B1XJ
- EPA Substance Registry System
- Carbonic acid, bis(2-methylpropyl) ester (539-92-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P302+P352-P305+P351+P338
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
This chemical does not meet GHS hazard criteria for 100% (18 of 18) of all reports.
Not Classified
Aggregated GHS information provided per 18 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2920900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbonic acid, bis(2-methylpropyl) ester: INACTIVE
Applications
UsesISOBUTYL CARBONATE can be used in organic synthesis, as well as in fragrances and chemical analysis reagents.
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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