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122-70-3 | Propanoic acid, 2-phenylethyl ester
CAS No: 122-70-3 Catalog No: AG0016K3 MDL No:MFCD00027008
Product Description
Catalog Number:
AG0016K3
Chemical Name:
Propanoic acid, 2-phenylethyl ester
CAS Number:
122-70-3
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00027008
IUPAC Name:
2-phenylethyl propanoate
InChI:
InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
HVGZQCSMLUDISR-UHFFFAOYSA-N
SMILES:
CCC(=O)OCCc1ccccc1
EC Number:
204-567-7
UNII:
9VFI60EUHW
NSC Number:
404457
FEMA Number:
2867
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Fragrance material review on phenethyl propionate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20120901 |
| Quantitative structure-activity relationships of monoterpenoid binding activities to the housefly GABA receptor. | Pest management science 20120801 |
| Distinguishing male and female Chinese rose beetles, Adoretus sinicus, with an overview of Adoretus species of biosecurity concern. | Journal of insect science (Online) 20110101 |
| Searching for monooxygenases and hydrolases in bacteria from an extreme environment. | Applied microbiology and biotechnology 20100601 |
| Characterization of the most odor-active compounds in an American Bourbon whisky by application of the aroma extract dilution analysis. | Journal of agricultural and food chemistry 20080723 |
| Evaluation of the environmental fate of thymol and phenethyl propionate in the laboratory. | Pest management science 20080701 |
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