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4-n-Propylphenol

Catalog Number
ACM645567
CAS Number
645-56-7
Product Name
4-n-Propylphenol
Structure
Category
Liquid Crystal (LC) Building Blocks
Description
Liquid;Solid;Colourless liquid, phenolic odour
IUPAC Name
4-propylphenol
Molecular Weight
136.19g/mol
Molecular Formula
C9H12O
Canonical SMILES
CCCC1=CC=C(C=C1)O
InChI
InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
InChI Key
KLSLBUSXWBJMEC-UHFFFAOYSA-N
Boiling Point
232.6 °C
Melting Point
22.0 °C;Mp 21-22 °;21-22°C
Density
d04 1.09;0.980-0.986
Solubility
0.01 M;1.28 mg/mL at 25 °C;1.28 mg/mL at 25 °C;insoluble in water; soluble in fat;miscible (in ethanol)
Complexity
82.7
Covalently-Bonded Unit Count
1
EC Number
211-446-2
Exact Mass
136.088815g/mol
Formal Charge
0
Heavy Atom Count
10
Log P
3.2 (LogP);3.20;3.20
MeSH Entry Terms
4-propylphenol;4-propylphenol, potassium
Monoisotopic Mass
136.088815g/mol
NSC Number
65647
Refractive Index
1.523-1.527
Rotatable Bond Count
2
UNII
H27VG833JY
Vapor Pressure
0.04 mmHg
XLogP3
3.2
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