1-Methyl-2-phenylethyl Acetate

CAT: 0024-sc-487614Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-487614Size:5 g

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CAS Number

2114-33-2

Chemical Information

Benzeneethanol, alpha-methyl-, 1-acetate

CAS Number	2114-33-2
PubChem CID	16457
IUPAC Name	1-phenylpropan-2-yl acetate
Molecular Formula	C11H14O2
Molecular Weight	178.23
XLogP	2.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	159

SMILES

CC(CC1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C11H14O2/c1-9(13-10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3

InChIKey

LOHDWLZDQXQLJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2114-33-2

CID: 16457

Formula: C11H14O2

MW: 178.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.23
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-472251	1,1-Dimethyl-2-phenylethyl Acetate
sc-274143	2-{[4- (1-methyl-1-phenylethyl) phenoxy]methyl}oxirane
sc-283208	2-methyl-2-[4- (1-methyl-1-phenylethyl) phenoxy]propanoic acid
sc-335256	2-methyl-2-[4- (1-methyl-1-phenylethyl) phenoxy]propanoyl chloride
sc-266726	3-Methyl-1- (2-phenylethyl) -4-piperidone
sc-320247	1-methyl-2-oxo-2-phenylethyl 4-aminobenzoate
sc-354054	Methyl (2-phenylethyl) amine hydrochloride
sc-354054A	Methyl (2-phenylethyl) amine hydrochloride
sc-328121	Methyl (2S) -1- (2-phenylethyl) pyrrolidine-2-carboxylate
sc-282830	2-[4- (1-methyl-1-phenylethyl) phenoxy]acetohydrazide

Catalog	Name
OR920861-01	1-Methyl-2-phenylethyl acetate
OR955654	Methyl 2-[[ (1S) -1-phenylethyl]amino]acetate
OR955707	Methyl 2- ([ (1r) -1-phenylethyl]amino) acetate
TN6877	2-Phenylethyl Acetate
GTR19255150-01	1-Phenylethyl acetate
P211366	2-Phenylethyl Acetate-d3
OR1029101-01	2,2,2-Trichloro-1-Phenylethyl Acetate
OR1061217-01	(S) -1-Phenylethyl acetate
OR1060941-01	(R) -1-phenylethyl acetate
GCA72098-01	Ethyl 2-[ (1-phenylethyl) amino]acetate