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2-Allylphenol

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2-Allylphenol Basic information

Product Name:
2-Allylphenol
Synonyms:
  • 1-ALLYL,2-HYDROXY-BENZENE
  • 2LP
  • 2-prop-2-enylphenol
  • InChI=1/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H
  • 2-AL
  • 2-(2-propenyl)-pheno
  • o-allyl-pheno
  • Phenol, o-allyl-
CAS:
1745-81-9
MF:
C9H10O
MW:
134.18
EINECS:
217-119-0
Product Categories:
  • Organic Building Blocks
  • Oxygen Compounds
  • Benzene derivatives
  • Phenols
  • Intermediate
Mol File:
1745-81-9.mol
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2-Allylphenol Chemical Properties

Melting point:
-6 °C
Boiling point:
220 °C (lit.)
Density 
1.028 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.546(lit.)
Flash point:
192 °F
storage temp. 
Inert atmosphere,Room Temperature
solubility 
7 g/L (20°C)
pka
pK1: 10.28 (25°C)
form 
Oil
color 
Colourless
PH
6-7 (100g/l, H2O, 20℃)
Water Solubility 
7 g/L (20 ºC)
BRN 
742121
InChIKey
QIRNGVVZBINFMX-UHFFFAOYSA-N
LogP
2.91
Dissociation constant
10.27-10.29 at 25℃
CAS DataBase Reference
1745-81-9(CAS DataBase Reference)
NIST Chemistry Reference
Phenol, 2-(2-propenyl)-(1745-81-9)
EPA Substance Registry System
Phenol, 2-(2-propenyl)- (1745-81-9)
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Safety Information

Hazard Codes 
C,Xi
Risk Statements 
21/22-34-36/38
Safety Statements 
26-36/37/39-45-24/25-23
RIDADR 
UN 2923 8/PG 3
WGK Germany 
2
RTECS 
SJ3850000
TSCA 
Yes
HazardClass 
8
PackingGroup 
III
HS Code 
29071900

MSDS

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2-Allylphenol Usage And Synthesis

Chemical Properties

clear colourless to light yellow liquid

Uses

2-Allylphenol is an protected intermediate in the synthesis of metabolites of Diclofenac (D436450), a nonsteroidal anti-inflammatory compound an decycloxygenase (COX) inhibitor.

Definition

ChEBI: A member of the class of phenols that is phenol carrying an allyl group at position 2.

Synthesis Reference(s)

Synthesis, p. 310, 1981 DOI: 10.1055/s-1981-29431
Tetrahedron Letters, 35, p. 1409, 1994 DOI: 10.1016/S0040-4039(00)76231-9

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