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1-Phenylethyl propionate

CAT: 0804-HY-W016598-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W016598-01Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1-Phenylethyl propionate is a kind of biochemical reagent.
CAS Number
120-45-6
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Assay Protocol
https://www.medchemexpress.com/1-phenylethyl-propionate.html
Purity
99.79
Smiles
O=C(CC)OC(C)C1=CC=CC=C1
Molecular Formula
C11H14O2
Molecular Weight
178.23
Precautions
H302, H315, H319, H335
References & Citations
[1]Bergmeyer, et al. "Biochemical reagents." Methods of Enzymatic Analysis. Academic Press, 1965. 967-1037.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

1-Phenylethyl propionate

1-Phenylethyl propanoate is a carboxylic ester. It is functionally related to a benzyl alcohol.

CAS Number120-45-6
PubChem CID8432
IUPAC Name1-phenylethyl propanoate
Molecular FormulaC11H14O2
Molecular Weight178.23
XLogP2.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
CCC(=O)OC(C)C1=CC=CC=C1
InChI
InChI=1S/C11H14O2/c1-3-11(12)13-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKey
WCIQNYOXLZQQMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenylethyl propionate
CAS: 120-45-6
CID: 8432
Formula: C11H14O2
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass178.099379685
Monoisotopic Mass178.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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