Basic information
- Standard SMILES
CCCCOC(=O)C(C)=O- InChIKey
ZAZUOXBHFXAWMD-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- Butyl pyruvate
- IUPAC
- butyl 2-oxopropanoate
- English name
- Butyl pyruvate
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
Butyl pyruvate20279-44-1DTXSID20335220RefChem:122291DTXCID20286309ZAZUOXBHFXAWMD-UHFFFAOYSA-NButyl 2-oxopropanoaten-butyl pyruvateSCHEMBL1394342-oxo-propionic acid butyl esterAKOS006280003CS-0449459
Show more names
Buthyl pyruyatepyruvic acid butyl ester2-Oxopropanoic acid butyl esterPropanoic acid, 2-oxo-, butyl esterN,N-Dimethylcarbamic Acid 3-Pyridinyl Ester
Q63396441
Database identifiers
- CAS
20279-44-1- PubChem CID
- 523883
- DTXSID
DTXSID20335220- Nikkaji
- J132.334B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 70 · 70-71 °C(Press: 11 Torr)
- Density
- 0.996 · 0.996±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- CAS DataBase Reference
- 20279 · 20279-44-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers20 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北麦凯斯精化科技有限责任公司13026126800 13026126800;13027176014 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Related reactions
18 records
Linked notes
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