CAS 1745-81-9 2-Allylphenol - Materials / Alfa Chemistry

NAVIGATION

2-Allylphenol

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Catalog Number

ACM1745819

CAS Number

1745-81-9

Product Name

2-Allylphenol

Structure

Category

Monomers

Synonyms

2-ALLYLPHENOL;ALLYLPHENOL-2;O-ALLYLPHENOL;Phenol, 2-(2-propenyl)-;2-(2-propenyl)-pheno

Description

2-Allylphenol is an protected intermediate in the synthesis of metabolites of Diclofenac, a nonsteroidal anti-inflammatory compound an decycloxygenase (COX) inhibitor.

IUPAC Name

2-prop-2-enylphenol

Molecular Weight

134.18

Molecular Formula

C9H10O

Canonical SMILES

C=CCC1=CC=CC=C1O

InChI

InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2

InChI Key

QIRNGVVZBINFMX-UHFFFAOYSA-N

Boiling Point

220 ºC (lit.)

Melting Point

-6ºC

Flash Point

88ºC

Purity

98%+

Density

1.02

Appearance

Clear colorless to light yellow liquid

Complexity

109

Covalently-Bonded Unit Count

EC Number

217-119-0

Exact Mass

134.073165g/mol

Formal Charge

Hazard Class

Heavy Atom Count

Log P

2.12070

MDL Number

MFCD00002250

MeSH Entry Terms

2-allylphenol;2-allylphenol potassium;2-allylphenol sodium

Monoisotopic Mass

134.073165g/mol

NSC Number

1538

Refractive Index

1.544-1.546

Rotatable Bond Count

Stability

Stable under normal temperatures and pressures.

Storage Conditions

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

UNII

O04F145ZJZ

Vapor Pressure

0.0783mmHg at 25°C

WGK Germany

XLogP3

2.7

MSDS

Download MSDS

COA

Download COA

Spec Sheet