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| CAS No.: | 81863-45-8 |
|---|---|
| Name: | 3-AMINO-4-METHYLBENZYL ALCOHOL |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8H11NO |
| Molecular Weight: | 137.181 |
| Synonyms: | 3-AMINO-4-METHYLBENZYL ALCOHOL;(3-Amino-4-methylphenyl)methanol;3-AMino-4-Methylbenzyl alcohol 97% |
| Density: | 1.126 g/cm3 |
| Melting Point: | 107-109 °C(lit.) |
| Boiling Point: | 297.5 °C at 760 mmHg |
| Flash Point: | 133.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 46.25000 |
| LogP: | 1.65070 |
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- Total:12 Page 1 of 1 1
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Specification
The 3-Amino-4-methylbenzylalcohol is an organic compound with the formula C8H11NO. The systematic name of this chemical is (3-amino-4-methylphenyl)methanol. With the CAS registry number 81863-45-8, it is also named as benzenemethanol, 3-amino-4-methyl-. The product's categories are Amino Alcohols; Organic Building Blocks; Oxygen Compounds. Besides, it should be stored in a closed cool and dry place.
Physical properties about 3-Amino-4-methylbenzylalcohol are: (1)ACD/LogP: 0.21; (2)ACD/LogD (pH 5.5): 0.19; (3)ACD/LogD (pH 7.4): 0.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.41; (7)CD/KOC (pH 7.4): 31.07; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 41.76 cm3; (14)Molar Volume: 121.8 cm3; (15)Polarizability: 16.55×10-24cm3; (16)Surface Tension: 50.2 dyne/cm; (17)Density: 1.126 g/cm3; (18)Flash Point: 133.7 °C; (19)Enthalpy of Vaporization: 56.74 kJ/mol; (20)Boiling Point: 297.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000605 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-methyl-3-nitro-benzyl alcohol. This reaction will need reagent zinc, HCl, alcohol.
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Uses of 3-Amino-4-methylbenzylalcohol: it can be used to produce 5-(tert-butyl-dimethyl-silanyloxymethyl)-2-methyl-phenylamine. It will need reagent imidazole and solvent dimethylformamide. The yield is about 97%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cc(N)c(cc1)C
(2)InChI: InChI=1/C8H11NO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5,9H2,1H3
(3)InChIKey: BCQKYGYTOHXGLL-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H11NO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5,9H2,1H3
(5)Std. InChIKey: BCQKYGYTOHXGLL-UHFFFAOYSA-N