Methyl 5-tert-butylfuran-2-carboxylate
Basic information
- CAS
59907-23-2- Standard SMILES
COC(=O)c1ccc(C(C)(C)C)o1- InChIKey
UBRPDRSWIRZWQG-UHFFFAOYSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.0942943
Names & identifiers
- Preferred name
- Methyl 5-tert-butylfuran-2-carboxylate
- IUPAC
- methyl 5-tert-butylfuran-2-carboxylate
- English name
- Methyl 5-tert-butylfuran-2-carboxylate
- Molecular formula
- C10H14O3
- Molecular weight
- 182.22
Names & synonyms
59907-23-2methyl 5-tert-butylfuran-2-carboxylatemethyl 5-(tert-butyl)furan-2-carboxylatemethyl 5-tert-butyl-2-furoateMFCD216077062-furancarboxylic acid, 5-(1,1-dimethylethyl)-, methyl esterNSC69079NCIOpen2_000609SCHEMBL3229079DTXSID30290513UBRPDRSWIRZWQG-UHFFFAOYSA-NALBB-025909
Show more names
NSC 69079NSC-69079me-thyl 5-t-butylfuran-2-carboxylateAKOS015998412methyl5-(tert-butyl)furan-2-carboxylateLS-08725methyl 5-tert.-butyl-furan-2-carboxylateST099122
Database identifiers
- CAS
59907-23-2- PubChem CID
- 250082
- DTXSID
DTXSID30290513
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 110 · 110-114 °C(Press: 15 Torr)
- Density
- 1.037 g/cm3 · 1.037 g/cm3(Temp: 25 °C)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
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