Basic information
- CAS
6270-17-3- Standard SMILES
CCOC(=O)CCC(=O)c1ccccc1- InChIKey
BRUOEHVDTAORQY-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- Ethyl 4-oxo-4-phenylbutyrate
- IUPAC
- ethyl 4-oxo-4-phenylbutanoate
- English name
- ethyl 4-oxo-4-phenylbutyrate
- Molecular formula
- C12H14O3
- Molecular weight
- 206.24
Names & synonyms
Ethyl 4-oxo-4-phenylbutanoate6270-17-3Ethyl 4-oxo-4-phenylbutyrateC9G6DRC3C2Benzenebutanoic acid, g-oxo-, ethyl esterEINECS 228-448-4NSC-10083AI3-07012Benzenebutanoic acid, gamma-oxo-, ethyl esterDTXSID60211776Benzenebutanoic acid, .gamma.-oxo-, ethyl esterNSC 10083
Show more names
ethyl 3-benzoylpropanoate4-oxy-4-phenylethyl butyrate1-Ethoxy-4-phenylbutane-1,4-dione3-Benzoylpropionic acid ethyl ester4-Oxo-4-phenylbutanoic acid ethyl esterBenzenebutanoic acid, γ-oxo-, ethyl estertert-butyl 3-allyl-3-hydroxyazetidine-56-carboxylate
NSC 33812ETHYL .GAMMA.-OXOBENZENEBUTANOATERefChem:138787DTXCID90134267ETHYL GAMMA-OXOBENZENEBUTANOATE228-448-4MFCD00026921Ethyl 4-phenyl-4-oxobutyrate
Database identifiers
- CAS
6270-17-3- PubChem CID
- 80451
- DTXSID
DTXSID60211776- UNII
- C9G6DRC3C2
- EC Number
- 228-448-4
- Nikkaji
- J129.439C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- FDA UNII
- 9 G6DRC3C2 · C9G6DRC3C2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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]
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers22 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
重庆奥舍生物化工有限公司023-63225655 13320248848 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
南京凯雷德生物科技有限公司025-52343882 18112933882 · [email protected]
湖州澄博生物科技有限公司13626726938
嘉兴瑞恒生物科技有限公司0573-0573-82672231 13757365595 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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