Cas no 122-44-1 (Benzeneacetic acid,3-phenylpropyl ester)
122-44-1 structure
Product Name:Benzeneacetic acid,3-phenylpropyl ester
Benzeneacetic acid,3-phenylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,3-phenylpropyl ester
- 3-phenylpropyl 2-phenylacetate
- 3-phenylpropyl phenylacetate
- AC1L26Y5
- AC1Q66ZV
- CTK4B3112
- NSC6688
- phenyl-acetic acid-(3-phenyl-propyl ester)
- Phenyl-essigsaeure-(3-phenyl-propylester)
- SureCN3396096
- phenyl propyl phenyl acetate
- Phenylacetic acid 3-phenylpropyl ester
- SCHEMBL3396096
- EINECS 204-544-1
- KBXZBPLAQDTVAW-UHFFFAOYSA-N
- phenylpropyl phenylacetate
- Benzeneacetic acid, 3-phenylpropyl ester
- 3-Phenylpropyl phenylacetate #
- DTXSID30153457
- NSC 6688
- NSC-6688
- 7LGA3DUX7W
- 3-Phenylpropyl benzeneacetate
- Phenylacetic acid, 3-phenylpropyl ester
- Acetic acid, phenyl-, 3-phenylpropyl ester
- NS00023989
- 122-44-1
-
- Inchi： 1S/C17H18O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2
- InChI Key： KBXZBPLAQDTVAW-UHFFFAOYSA-N
- SMILES： O(C(CC1C=CC=CC=1)=O)CCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 254.13074
- Monoisotopic Mass: 254.13068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 1.077
- Boiling Point: 383.7°Cat760mmHg
- Flash Point: 150.8°C
- Refractive Index: 1.557
- PSA: 26.3
- LogP: 3.40510
Benzeneacetic acid,3-phenylpropyl ester Related Literature
-
Graham A. Bowmaker,Chaveng Pakawatchai,Saowanit Saithong,Brian W. Skelton,Allan H. White Dalton Trans. 2009 2588
122-44-1 (Benzeneacetic acid,3-phenylpropyl ester) Related Products
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- 103-52-6(Phenethyl butyrate)
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- 40061-55-0(Ethyl m-tolylacetate)
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