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Benzenemethanol,2,4,6-trimethyl- (4170-90-5)

Identification
Name:Benzenemethanol,2,4,6-trimethyl-
Synonyms:Benzylalcohol, 2,4,6-trimethyl- (6CI,7CI,8CI);2,4,6-Trimethylbenzenemethanol;2,4,6-Trimethylbenzyl alcohol;Mesitylcarbinol;Mesitylmethanol;
CAS:4170-90-5
EINECS: 224-032-1
Molecular Formula: C10H14O
Molecular Weight: 150.22
InChI: InChI=1/C10H14O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5,11H,6H2,1-3H3
Molecular Structure: (C10H14O) Benzylalcohol, 2,4,6-trimethyl- (6CI,7CI,8CI);2,4,6-Trimethylbenzenemethanol;2,4,6-Trimethylbenzyl a...
Properties
Density:0.987 g/cm3
Stability:Stable under normal temperatures and pressures.
Refractive index:1.532
Solubility: Appearance:clear liquid
Transport Information:HAZARD
Hazard Symbols:UN NO.
Safety:S24/25
Appearance:white to light yellow crystal powder
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.

Storage Temperature: 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.
Safety Data
 

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