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Basic information
- CAS
5400-79-3- Standard SMILES
CCOC(=O)C1CCC(=O)C1- InChIKey
VGJWAMLZUUGEQY-UHFFFAOYSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- Ethyl 3-oxocyclopentanecarboxylate
- IUPAC
- ethyl 3-oxocyclopentane-1-carboxylate
- English name
- ethyl 3-oxocyclopentane-1-carboxylate
- Molecular formula
- C8H12O3
- Molecular weight
- 156.18
Names & synonyms
ethyl 3-oxocyclopentanecarboxylateDTXSID50278873RefChem:595062DTXCID20230029809-423-25400-79-3ethyl 3-oxocyclopentane-1-carboxylate3-Oxo-cyclopentanecarboxylic acid ethyl esterMFCD01320352MLS002638139AC-29361SMR001547629
Show more names
NSC 10387Ethyl 3-oxocyclopentanoate3-ketocyclopentanecarboxylic acid ethyl esterCyclopentanecarboxylicacid, 3-oxo-, ethyl ester
3-Oxo-cyclopentanecarboxylic acid ethyl ester, AldrichCPRCyclopentanecarboxylic acid, 3-oxo-, ethyl esterNSC10387AM20120572BB 0261219FT-0709594SCHEMBL337445CHEMBL1899442
Database identifiers
- CAS
5400-79-3- PubChem CID
- 223136
- DTXSID
DTXSID50278873- ChEMBL
CHEMBL1899442- EC Number
- 809-423-2
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 120 °C · 120 °C(Press: 14 Torr)
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2918300090 · 2918300090
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
Danger
H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (97.4%)
Safety data
- hs_code
- 2918300090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usesethyl 3-oxocyclopentane-1-carboxylate is an ester derivative and can be used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
泰州葛林美克医药科技有限公司15366892466 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海基玉医药科技有限公司
Related reactions
7 records
Compound notes
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