Benzyl benzoate

Catalog Number

ACM120514

Product Name

Benzyl benzoate

Structure

CAS

120-51-4

Category

Inhibitors

Description

Benzyl benzoate is an organic compound with the formula C6H5CH2O2CC6H5. It is the ester of benzyl alcohol and benzoic acid. It forms either a viscous liquid or solid flakes and has a weak, sweet-balsamic odor. It occurs in a number of blossoms (e. g. tuberose, hyacinth) and is a component of Balsam of Peru and Tolu balsam.It is on the World Health Organization’s List of Essential Medicines, a list of the most important medication needed in a basic health system.

Synonyms

Phenylmethyl benzoate

IUPAC Name

Benzyl benzoate

Molecular Weight

212.24

Molecular Formula

C14H12O2

Canonical 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

InChI Key

SESFRYSPDFLNCH-UHFFFAOYSA-N

Boiling Point

323-324 °C (lit.)

Melting Point

17-20 °C (lit.)

Flash Point

147ºC

Density

1.118 g/ml

Appearance

Liquid

Complexity

213

Defined Atom Stereocenter Count

0

EC Number

204-402-9

Exact Mass

212.0837

Formal Charge

0

Hazard Codes

Xn

Heavy Atom Count

16

HS Code

4002191900

Hydrogen Bond Acceptor Count

2

Hydrogen Bond Donor Count

0

Isotope Atom Count

0

LogP

3.04360

MDL Number

MFCD00003075

Monoisotopic Mass

212.0837

Physical State

Liquid

PSA

26.3

Refractive Index

1.567-1.57

Rotatable Bond Count

4

Stability

Stable. Substances to be avoided include strong oxidizing agents. Combustible.

Storage Conditions

Store in a cool, dry place. Keep container closed when not in use. Keep from contact with oxidizing materials.

Topological Polar Surface Area

26.3 Ų

Vapor Pressure

1 mm Hg ( 125 °C)

WGK Germany

2

MSDS

COA

Spec Sheet