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Basic Information
CAS No.: 3780-50-5
Name: 4-Octyloxyphenol
Article Data: 30
Molecular Structure:
Molecular Structure of 3780-50-5 (4-Octyloxyphenol)
Formula: C14H22O2
Molecular Weight: 222.327
Synonyms: Phenol,p-(octyloxy)- (6CI,7CI,8CI);4-(n-Octyloxy)phenol;Hydroquinone octyl ether;p-(Octyloxy)phenol;
EINECS: 223-243-6
Density: 0.978 g/cm3
Melting Point: 80 °C
Boiling Point: 340.6 °C at 760 mmHg
Flash Point: 148.4 °C
Appearance: White to beige crystal
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
PSA: 29.46000
LogP: 4.13150
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Chemistry

IUPAC Name: 4-Octoxyphenol
Molecular Formula: C14H22O2
Molecular Weight: 222.32 g/mol
Canonical SMILES: O(c1ccc(O)cc1)CCCCCCCC
InChI: InChI=1/C14H22O2/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h8-11,15H,2-7,12H2,1H3
Mol File: 3780-50-5.mol
EINECS: 223-243-6
Product Categories: API intermediates; Building Blocks for Liquid Crystals; Functional Materials; Phenols (Building Blocks for Liquid Crystals)
Nominal Mass: 222 
Average Mass: 222.3233  
Monoisotopic Mass: 222.16198 
H bond acceptors: 2 
H bond donors: 1 
Freely Rotating Bonds: 9 
Polar Surface Area: 18.46
Index of Refraction: 1.503 
Molar Refractivity: 67.24 cm3 
Molar Volume: 227.4 cm3 
Polarizability: 26.65×10-24cm3 
Surface Tension: 36.1 dyne/cm 
Density: 0.977 g/cm3 
Flash Point: 148.4 °C 
Enthalpy of Vaporization: 60.73 kJ/mol 
Boiling Point: 340.6 °C at 760 mmHg 
Melting Point: 80 °C
Vapour Pressure of 4-Octyloxyphenol (CAS NO.3780-50-5): 4.32E-05 mmHg at 25 °C

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
S37/39: Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Specification

  4-Octyloxyphenol (CAS NO.3780-50-5), its Synonyms are Phenol, 4-(octyloxy)- ; P-(Octyloxy)phenol ; 4-(N-Octyloxy)phenol, 98% .