Basic information
- CAS
17097-90-4- Standard SMILES
CCOC(=O)C(C(=O)O)c1ccccc1- InChIKey
INQWZSLKTMTMSK-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- 3-Ethoxy-3-oxo-2-phenylpropanoic acid
- IUPAC
- 3-ethoxy-3-oxo-2-phenylpropanoic acid
- English name
- 2-Phenyl-malonic acid monoethyl ester
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
3-ethoxy-3-oxo-2-phenylpropanoic acid17097-90-4DTXSID90369618RefChem:279007DTXCID00320654832-618-92-Phenyl-malonic acid monoethyl esterLeucogen Impurity 7MFCD00091621ethyl 2-phenylmalonateMaybridge3_005541ethyl hydrogen phenylmalonate
Show more names
Propanedioic acid, 2-phenyl-, 1-ethyl esterOprea1_116521phenyl malonic acid ethyl esterSCHEMBL1275691SCHEMBL6959479phenyl(ethoxycarbonyl)acetic acidINQWZSLKTMTMSK-UHFFFAOYSA-NHMS1446L19
Database identifiers
- CAS
17097-90-4- PubChem CID
- 2729903
- DTXSID
DTXSID90369618- EC Number
- 832-618-9
- Nikkaji
- J1.394.223D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 76 · 76-77 °C(Solv: dichloromethane (75-09-2))
- Boiling point
- 153 · 153-155 °C(Press: 0.2 Torr)
- Density
- 1.432 g/cm3 · 1.432 g/cm3(Temp: 22 °C)
- pka
- 3.07 · 3.07±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers26 total
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
南京今冉生物新材料科技有限公司+86-025-58218501; 19941513806
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
ATK CHEMICAL COMPANY LIMITED
Related reactions
7 records
Compound notes
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