Molecular Structure of 4-Hexyloxyphenol (CAS No. 18979-55-0):
IUPAC Name: 4-Hexoxyphenol
Molecular Formula: C12H18O2
Molecular Weight: 194.270120 g/mol
Appearance: light beige to brown crystalline solid
Index of Refraction: 1.508
Molar Refractivity: 57.97 cm3
Molar Volume: 194.3 cm3
Surface Tension: 36.5 dyne/cm
Density: 0.999 g/cm3
Flash Point: 140.9 °C
Enthalpy of Vaporization: 57.24 kJ/mol
Boiling Point: 309.7 °C at 760 mmHg
Vapour Pressure: 0.000345 mmHg at 25°C
Melting Point: 45-47 °C(lit.).
BRN: 473079
EINECS: 242-713-1
Product Categories: Building Blocks for Liquid Crystals;Functional Materials;Phenols (Building Blocks for Liquid Crystals);Organic Building Blocks;Oxygen Compounds;Phenols
Structure Descriptors of 4-Hexyloxyphenol (CAS No. 18979-55-0):
SMILES: O(c1ccc(O)cc1)CCCCCC
InChI: InChI=1/C12H18O2/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,13H,2-5,10H2,1H3
InChIKey: XIIIHRLCKLSYNH-UHFFFAOYAW
Std. InChI: InChI=1S/C12H18O2/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9,13H,2-5,10H2,1H3
Std. InChIKey: XIIIHRLCKLSYNH-UHFFFAOYSA-N
Safety Information of 4-Hexyloxyphenol (CAS No. 18979-55-0):
Hazard Codes: Xn,Xi , N
Risk Statements: 22-36/37/38-51/53
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-36-61-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
4-Hexyloxyphenol with cas registry number of 18979-55-0 is also called Phenol, 4-(hexyloxy)- . It can be used as intermediate of Liquid Crystals.
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