Carbonic acid, bis(1,1-dimethylethyl) ester

HCID 10219638CAS 34619-03-9

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Basic information

Standard SMILES: CC(C)(C)OC(=O)OC(C)(C)C
InChIKey: ODCCJTMPMUFERV-UHFFFAOYSA-N
Molecular formula: C9H18O3
Average molar mass: 174.24 g/mol
Monoisotopic mass: 174.12559443

Names & identifiers

Preferred name: Carbonic acid, bis(1,1-dimethylethyl) ester
IUPAC: ditert-butyl carbonate
English name: Carbonic acid, bis(1,1-dimethylethyl) ester
Molecular formula: C9H18O3
Molecular weight: 174.24

Names & synonyms

Carbonic acid, bis(1,1-dimethylethyl) esterRefChem:574394609-007-9di-tert-butyl carbonate34619-03-9di-tert-butylcarbonateDitert-butyl CarbonateMFCD14560560Di-t-butyl carbonatecarbonic acid di-tert-butyl esterditerbutylcarbonateditertbutlycarbonate

Show more names

ditertbutylcarbonatedi t-butylcarbonatedi-t-butylcarbonatedit-butyl carbonatediterbutyl carbonatedi-tertbutylcarbonatedi(t-butyl)carbonatedi-t butyl carbonate

Database identifiers

CAS: 34619-03-9
PubChem CID: 10219638
DTXSID: DTXSID40436864
EC Number: 609-007-9
Nikkaji: J1.196.050B

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 142

Physicochemical properties

Melting point: 40 °C · 40°C
Boiling point: 245.22 °C · 245.22°C (rough estimate)
Density: 1.0069 · 1.0069 (rough estimate)
refractive index: 1.4249 · 1.4249 (estimate)
storage temp.: 2 · 2-8°C
Appearance: White to off-white Solid

Safety & regulation

GHS classification

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.