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CAS No.: | 4170-90-5 |
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Name: | 2,4,6-Trimethylbenzyl alcohol |
Article Data: | 64 |
Molecular Structure: | |
Formula: | C10H14O |
Molecular Weight: | 150.221 |
Synonyms: | Benzylalcohol, 2,4,6-trimethyl- (6CI,7CI,8CI);2,4,6-Trimethylbenzenemethanol;2,4,6-Trimethylbenzyl alcohol;Mesitylcarbinol;Mesitylmethanol; |
EINECS: | 224-032-1 |
Density: | 0.987 g/cm3 |
Melting Point: | 87-89 °C(lit.) |
Boiling Point: | 235.1 °C at 760 mmHg |
Flash Point: | 105.9 °C |
Appearance: | white to light yellow crystal powder |
Safety: | S24/25 |
PSA: | 20.23000 |
LogP: | 2.10410 |
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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. |