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2510-99-8 molecular structure
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ethyl 2-phenylpropanoate

ChemBase ID: 74067
Molecular Formular: C11H14O2
Molecular Mass: 178.22766
Monoisotopic Mass: 178.09937969
SMILES and InChIs

SMILES:
O(C(=O)C(c1ccccc1)C)CC
Canonical SMILES:
CCOC(=O)C(c1ccccc1)C
InChI:
InChI=1S/C11H14O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKey:
UTUVIKZNQWNGIM-UHFFFAOYSA-N

Cite this record

CBID:74067 http://www.chembase.cn/molecule-74067.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-phenylpropanoate
IUPAC Traditional name
ethyl 2-phenylpropanoate
Synonyms
Ethyl 2-Phenylpropanoate
Ethyl 2-Phenylpropionate
Ethyl Hydrotropate
Ethyl α-Phenylpropionate
NSC 254979
α-Methylbenzeneacetic Acid Ethyl Ester
2-Phenylpropionic Acid Ethyl Ester
Ethyl 2-phenylpropanoate
CAS Number
2510-99-8
MDL Number
MFCD00795471
PubChem SID
162038986
PubChem CID
99643

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 99643 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6566825  LogD (pH = 7.4) 2.6566825 
Log P 2.6566825  Molar Refractivity 51.4578 cm3
Polarizability 20.29789 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
Colorless Liquid expand Show data source
Boiling Point
122°C/20mm expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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