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Benzyl benzoate

CAT: 1568-C17506Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1568-C17506Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120-51-4
Synonyms
Ascabiol, Novoscabin, Scabitox, Benzoic acid benzyl ester
SKU
C17506-500mg
Target
Parasite
Applications
Microbiology
Smiles
C1=CC=C (C=C1) COC (=O) C2=CC=CC=C2
Molecular Formula
C14H12O2
Additionnal Information
Benzyl benzoate (Ascabiol, Novoscabin, Scabitox, Benzoic acid benzyl ester) is one of the older preparations used to treat scabies. Scabies is a skin infection caused by the mite sarcoptes scabiei.
Storage Conditions
2 years -20°C liquid

Chemical Information

Benzyl Benzoate

Benzyl benzoate is a benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. It has a role as an acaricide, a scabicide and a plant metabolite. It is a benzoate ester and a benzyl ester. It is functionally related to a benzoic acid.

CAS Number120-51-4
PubChem CID2345
IUPAC Namebenzyl benzoate
Molecular FormulaC14H12O2
Molecular Weight212.24
XLogP4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity213
SMILES
C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey
SESFRYSPDFLNCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzyl Benzoate
CAS: 120-51-4
CID: 2345
Formula: C14H12O2
MW: 212.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.24
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass212.083729621
Monoisotopic Mass212.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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