Basic information
- CAS
25007-54-9- Standard SMILES
COC(=O)CC(=O)C(=O)OC- InChIKey
ZOKLUHBZBGHBAB-UHFFFAOYSA-N- Molecular formula
- C6H8O5
- Average molar mass
- 160.12 g/mol
- Monoisotopic mass
- 160.03717336
Names & identifiers
- Preferred name
- 1,4-Dimethyl 2-oxobutanedioate
- IUPAC
- dimethyl 2-oxobutanedioate
- English name
- dimethyl 2-oxobutanedioate
- Molecular formula
- C6H8O5
- Molecular weight
- 160.12
Names & synonyms
1,4-DIMETHYL 2-OXOBUTANEDIOATERefChem:416826859-271-6Dimethyl 2-oxosuccinate25007-54-9dimethyl 2-oxobutanedioateMFCD11976874Butanedioic acid, 2-oxo-, 1,4-dimethyl esterNSC25306DimethylepoxysuccinatButanedioic acid, oxo-, dimethyl esterDimethyl2-oxosuccinate
Show more names
dimethyl 2-oxo-succinateSCHEMBL322476DTXSID30282271ZOKLUHBZBGHBAB-UHFFFAOYSA-NABA00754NSC-25306AKOS017517953AS-75909
Database identifiers
- CAS
25007-54-9- PubChem CID
- 230407
- DTXSID
DTXSID30282271- EC Number
- 859-271-6
- Nikkaji
- J322.551H
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 85 °C · 85 °C
- Boiling point
- 125 · 125-127 °C(Press: 22 Torr)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- pka
- 7.92 · 7.92±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers9 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
成都科瑞嘉医药科技有限公司18290480864 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Related reactions
3 records
Compound notes
Loading…