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2,4,6-Trimethylbenzyl alcohol

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Name

2,4,6-Trimethylbenzyl alcohol

EINECS 224-032-1
CAS No. 4170-90-5 Density 0.987 g/cm3
PSA 20.23000 LogP 2.10410
Solubility N/A Melting Point 87-89 °C(lit.)
Formula C10H14O Boiling Point 235.1 °C at 760 mmHg
Molecular Weight 150.221 Flash Point 105.9 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety S24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 4170-90-5 (2,4,6-Trimethylbenzyl alcohol) Hazard Symbols N/A
Synonyms

Benzylalcohol, 2,4,6-trimethyl- (6CI,7CI,8CI);2,4,6-Trimethylbenzenemethanol;2,4,6-Trimethylbenzyl alcohol;Mesitylcarbinol;Mesitylmethanol;

Article Data 64

2,4,6-Trimethylbenzyl alcohol Specification

The 2,4,6-Trimethylbenzyl alcohol with its cas register number is 4170-90-5. It also can be called as Benzyl alcohol, 2,4,6-trimethyl- and the IUPAC Name about this chemical is (2,4,6-trimethylphenyl)methanol. It belongs to the following product categories, such as Benzhydrols, Benzyl & Special Alcohols, Miscellaneous, Alcohols, C9 to C30, Oxygen Compounds and so on. When you are using it, please avoid contact with skin and eyes.

Physical properties about 2,4,6-Trimethylbenzyl alcohol are: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 2.41; (3)ACD/LogD (pH 7.4): 2.41; (4)ACD/BCF (pH 5.5): 40.3; (5)ACD/BCF (pH 7.4): 40.3; (6)ACD/KOC (pH 5.5): 490.52; (7)ACD/KOC (pH 7.4): 490.52; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 47.17 cm3; (14)Molar Volume: 152 cm3; (15)Polarizability: 18.7x10-24cm3; (16)Surface Tension: 36.4 dyne/cm; (17)Enthalpy of Vaporization: 49.86 kJ/mol; (18)Vapour Pressure: 0.0282 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C(=C1)C)CO)C
(2)InChI: InChI=1S/C10H14O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5,11H,6H2,1-3H3
(3)InChIKey: LODDFDHPSIYCTK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 347, 1962.

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