Carbonic acid, bis(2-methylpropyl) ester

HCID 68321CAS 539-92-4
Substructure searchFind similar structures

Basic information

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 properties

XLogP
3.2
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
12

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

Safety & regulation

GHS classification

GHS Classification · 3 items

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
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

Suppliers36 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

Loading…