Ethyl 3-oxo-2-(2-phenylethyl)butanoate

HCID 219459
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Basic information

CAS
5337-63-3
Standard SMILES
CCOC(=O)C(CCc1ccccc1)C(C)=O
InChIKey
GPRDAMCHHGGJNX-UHFFFAOYSA-N
Molecular formula
C14H18O3
Average molar mass
234.29 g/mol
Monoisotopic mass
234.12559443

Names & identifiers

Preferred name
Ethyl 3-oxo-2-(2-phenylethyl)butanoate
IUPAC
ethyl 3-oxo-2-(2-phenylethyl)butanoate
English name
Ethyl 2-phenethylacetoacetate
Molecular formula
C14H18O3
Molecular weight
234.29

Names & synonyms

5337-63-3ethyl 3-oxo-2-(2-phenylethyl)butanoateEthyl 2-Acetyl-4-phenylbutanoateEthyl 2-phenethylacetoacetateMFCD22374908benzenebutanoic acid, alpha-acetyl-, ethyl esterNSC812SCHEMBL2427317Ethyl2-Acetyl-4-phenylbutanoateDTXSID20277090NSC-812GPRDAMCHHGGJNX-UHFFFAOYSA-N
Show more names
2-PHENETHYLACETOACETIC ACID, ETHYL ESTERBenzenebutanoic acid, α-acetyl-, ethyl ester3-oxo-2-(2-phenylethyl)butanoic acid ethyl ester3-keto-2-(2-phenylethyl)butyric acid ethyl ester
ALBB-021836NSC25336Ethyl 2-(2-Phenylethyl)acetoacetateEthyl alpha-(phenylethyl)acetoacetateNSC-25336ethyl 2-(2-phenylethyl)-acetoacetateAKOS015831216DS-10032

Database identifiers

CAS
5337-63-3
PubChem CID
219459
DTXSID
DTXSID20277090
Nikkaji
J1.922.010I

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
17

Physicochemical properties

storage temp.
Sealed in dry,Room Temperature
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers8 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
ChemeGen 中国18818260767 · [email protected]

Related reactions

22 records
New reaction record

Compound notes

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