2-Allylphenol

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Catalog Number
ACM-MO-1745819
Product Name
2-Allylphenol
Structure
Structure
CAS
1745-81-9
Category
Heterocyclic Organic Compound
Description
2-Allylphenol is an protected intermediate in the synthesis of metabolites of Diclofenac, a nonsteroidal anti-inflammatory compound an decycloxygenase (COX) inhibitor.
Synonyms
2-ALLYLPHENOL;ALLYLPHENOL-2;O-ALLYLPHENOL;Phenol, 2-(2-propenyl)-;2-(2-propenyl)-pheno
IUPAC Name
2-prop-2-enylphenol
Molecular Weight
134.18 g/mol
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 °C
Melting Point
-6ºC
Flash Point
88 °C
Density
1.02
Solubility
Soluble in water.Soluble in alcohol, chloroform, ether.
Appearance
Colorless to Light Yellow to Light Orange Clear Liquid
Complexity
109
Covalently-Bonded Unit Count
1
EC Number
217-119-0
Exact Mass
134.073165g/mol
Formal Charge
0
Hazard Codes
Xi
H-Bond Acceptor
1
H-Bond Donor
1
Heavy Atom Count
10
HS Code
29071900
LogP
2.12070
MDL Number
MFCD00002250
Monoisotopic Mass
134.073165g/mol
NSC Number
1538
Physical State
Liquid
PSA
2.23
Refractive Index
1.55
RIDADR
UN 2923
Rotatable Bond Count
2
SpecificGravity
1.02
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
2
XLogP3
2.7
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