tert-Butyl butyrate
Basic information
- CAS
2308-38-5- Standard SMILES
CCCC(=O)OC(C)(C)C- InChIKey
TWBUVVYSQBFVGZ-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Overview
See also: 1,1-Dimethylethyl butanoic acid ester (annotation moved to).
Names & identifiers
- Preferred name
- tert-Butyl butyrate
- IUPAC
- tert-butyl butanoate
- English name
- tert-butyl butanoate
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
tert-Butyl butyrateRefChem:894630tert-butyl butanoate2308-38-5Butanoic acid, 1,1-dimethylethyl esterbutyric acid tert-butyl esterCH3CH2CH2C(O)OC(CH3)3butanoic acid tert-butyl estert-butyl butyrateButanoic acid,1,1-dimethylethyl estertert-Butyl butyrate #starbld0037796
Show more names
AI3-060481,1-Dimethylethyl butanoateSCHEMBL10446SCHEMBL126947SCHEMBL2410619SCHEMBL2802412SCHEMBL3866035SCHEMBL7422594
Database identifiers
- CAS
2308-38-5- PubChem CID
- 61297
- DTXSID
DTXSID40177649- Nikkaji
- J520.349J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -88.07 °C · -88.07°C (estimate)
- Boiling point
- 136.25 °C · 136.25°C
- Density
- 0.8836 · 0.8836 (estimate)
- refractive index
- 1.379 · 1.3790 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…