Basic information
- CAS
6395-83-1- Standard SMILES
CCCCC(=O)C(=O)OC- InChIKey
GJIQBFATAJWGCL-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- Methyl 2-oxohexanoate
- IUPAC
- methyl 2-oxohexanoate
- English name
- 2-Ketocaproic acid methyl ester
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
Methyl 2-oxohexanoate6395-83-1RefChem:814593822-035-8Hexanoic acid, 2-oxo-, methyl ester2-Ketocaproic acid methyl esterMethyl2-oxohexanoateMethyl 2-oxohexanoate #SCHEMBL9100652-oxo-hexanoic acid methyl esterGJIQBFATAJWGCL-UHFFFAOYSA-NDTXSID201376624
Show more names
2-Oxohexanoic acid methyl ester
GAA39583EN300-254985
Database identifiers
- CAS
6395-83-1- PubChem CID
- 545374
- DTXSID
DTXSID201376624- EC Number
- 822-035-8
- Nikkaji
- J132.350D
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 80 · 80-90 °C(Press: 12 Torr)
- Density
- 0.996 · 0.996±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H227-H315-H335-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P210-P280-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H227-H315-H335-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P210-P280-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers9 total
郑州汇聚化工有限公司13393710386 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海源惠生物科技有限公司13761582449; 13761582449 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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