Basic information
- CAS
5296-70-8- Standard SMILES
CCC(C)(CC)C(=O)OC- InChIKey
RUFXPLNQCKJCCF-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- Butanoic acid, 2-ethyl-2-methyl-, methyl ester
- IUPAC
- methyl 2-ethyl-2-methylbutanoate
- English name
- 2-Ethyl-2-methylbutyric acid methyl ester
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
5296-70-8Butanoic acid, 2-ethyl-2-methyl-, methyl esterButyric acid, 2-ethyl-2-methyl-, methyl esterDTXSID40334634Methyl .alpha.-ethyl-.alpha.-methylbutyrateMethyl .alpha.-methyl-.alpha.-ethylbutyrateRefChem:330731DTXCID50285724Methyl alpha-ethyl-alpha-methylbutyrateMethyl alpha-methyl-alpha-ethylbutyrateRUFXPLNQCKJCCF-UHFFFAOYSA-NMethyl 2-ethyl-2-methylbutanoate
Show more names
2-Ethyl-2-methylbutyric acid methyl estermethyl 2-ethyl-2-methylbutyrateSCHEMBL131019SCHEMBL2475483SCHEMBL27663044Methyl 2-ethyl-2-methylbutanoate #MFCD32068340SY403934
Database identifiers
- CAS
5296-70-8- PubChem CID
- 521437
- DTXSID
DTXSID40334634- Nikkaji
- J123.941D
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 114
Experimental & physicochemical properties
Kovats Retention Index869
Physicochemical properties
- Boiling point
- 62 · 62-63 °C(Press: 25 Torr)
- Density
- 0.8824 g/cm3 · 0.8824 g/cm3(Temp: 25 °C)
Chemistry & industry
Suppliers6 total
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
上海天习化工有限公司021-20960837,QQ1332204249 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Richest Group Ltd18017061086 · [email protected]
Shaanxi LuyuanBiomedicine Co., LTD[email protected]
Related reactions
17 records
Compound notes
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