Benzyl Acetate 99% Extrapure

CAT: 1507-0391D 00500Size: 500 mLDry Ice: NoHazardous: No

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CAT#:1507-0391D 00500Size:500 mL

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CAS Number

140-11-4

HSN Code

98020000

Chemical Information

Benzyl acetate

Benzyl acetate is the acetate ester of benzyl alcohol. It has a role as a metabolite. It is an acetate ester and a benzyl ester.

CAS Number	140-11-4
PubChem CID	8785
IUPAC Name	benzyl acetate
Molecular Formula	C9H10O2
Molecular Weight	150.17
XLogP	2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	126

SMILES

CC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey

QUKGYYKBILRGFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 140-11-4

CID: 8785

Formula: C9H10O2

MW: 150.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.17
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	150.068079557
Monoisotopic Mass	150.068079557
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	126
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

Catalog	Name
40000500	Benzyl Chloride 99% Extrapure
39602500	Benzyl Benzoate 99% Extrapure
00400 00500	Benzyl Chloride 99% Extrapure
39600500	Benzyl Benzoate 99% Extrapure
00396 00500	Benzyl Benzoate 99% Extrapure
00396 02500	Benzyl Benzoate 99% Extrapure
33100500	Barium Acetate 99% Extrapure
206300500	Potassium Acetate 99% Extrapure
02063 00500	Potassium Acetate 99% Extrapure
1896D 00100	Octyl Acetate 99% Extrapure

Catalog	Name
00712 00500	Cellulose Acetate Extrapure
HY-N7124-01	Benzyl acetate
00393 00500	Benzyl Alcohol 97% Extrapure
92300-01	Benzyl Alcohol extrapure, 99%
28482-01	Benzyl Chloride extrapure, 99%
00396 02500	Benzyl Benzoate 99% Extrapure