Benzyl Benzoate

CAT: 0203-04601-52Size: 25 mLDry Ice: NoHazardous: No

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CAT#:0203-04601-52Size:25 mL

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CAS Number

120-51-4

Purity

≧ 99.0% (GC)

Storage Conditions

Room Temperature

Grade

GR (Guaranteed Reagent)

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 Number	120-51-4
PubChem CID	2345
IUPAC Name	benzyl benzoate
Molecular Formula	C14H12O2
Molecular Weight	212.24
XLogP	4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	213

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

CAS: 120-51-4

CID: 2345

Formula: C14H12O2

MW: 212.24

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	212.24
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	212.083729621
Monoisotopic Mass	212.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	213
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
31210-45	Sodium Benzoate
22103-35	Methyl Benzoate
22103-22	Methyl Benzoate
27007-42	Phenyl Benzoate
31211-35	Sodium Benzoate
14819-12	Ethyl Benzoate
31211-22	Sodium Benzoate
02409-52	Ammonium Benzoate
04605-25	Benzyl Chloride
04602-55	Benzyl Bromide

Alternative Products

Catalog	Name
TRC-B230950-1G	Benzyl Benzoate

Benzyl Benzoate

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