Methyl Eugenol extrapure, 99%

CAT: 0565-84753-01Size: 100 mLDry Ice: NoHazardous: No

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CAT#:0565-84753-01Size:100 mL

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Description

Part B

CAS Number

93-15-2

Storage Temperature

Room Temperature

Chemical Information

Methyleugenol

Methyleugenol can cause cancer according to The National Toxicology Program.

CAS Number	93-15-2
PubChem CID	7127
IUPAC Name	1,2-dimethoxy-4-prop-2-enylbenzene
Molecular Formula	C11H14O2
Molecular Weight	178.23
XLogP	2.5
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	156

SMILES

COC1=C(C=C(C=C1)CC=C)OC

InChI

InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3

InChIKey

ZYEMGPIYFIJGTP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 93-15-2

CID: 7127

Formula: C11H14O2

MW: 178.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.23
XLogP3	2.5
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	18.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	156
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

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Catalog	Name
01197 00500	Eugenol 99% Extrapure
283530-01	Methyl eugenol
HY-N6996R-01	Methyl Eugenol (Standard)
155965-01	Methyl Eugenol 98.0%
01727 00100	Methyl Eugenol 98% For Synthesis
HY-N6996S-01	Methyl Eugenol-13C, d3
E16730-01	Eugenol methyl ether 98%