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CAS No.: | 589-18-4 |
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Name: | 4-Methylbenzyl alcohol |
Article Data: | 516 |
Molecular Structure: | |
Formula: | C8H10O |
Molecular Weight: | 122.167 |
Synonyms: | Benzylalcohol, p-methyl- (8CI);(4-Methylphenyl)methanol;(4-Tolyl)methanol;4-(Hydroxymethyl)toluene;4-Methylbenzenemethanol;NSC3992;p-Methylbenzyl alcohol;p-Tolualcohol;p-Toluic alcohol;p-Toluylalcohol;p-Tolylcarbinol;p-Tolylmethanol; |
EINECS: | 209-639-1 |
Density: | 1.022 g/cm3 |
Melting Point: | 59-61 °C(lit.) |
Boiling Point: | 218.4 °C at 760 mmHg |
Flash Point: | 105 °C |
Solubility: | 0.1-1 g/100 mL at 21.5 C |
Appearance: | Needles or off-white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 20.23000 |
LogP: | 1.48730 |
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The 4-Methyl-benzenemethanol is an organic compound with the formula C8H10O. The IUPAC name of this chemical is (4-methylphenyl)methanol. With the CAS registry number 589-18-4, it is also named asbenzenemethanol, 4-methyl- . The product's categories are Benzhydrols, Benzyl & Special Alcohols; Alcohols; C7 to C8; Oxygen Compounds. Besides, it is a needles or off-white crystalline powder, which should be stored in a closed cool and dry place. It is used as intermediates in organic synthesis, it can be prepared plasticizers, organic tin stabilizers of vinyl chloride, non-Hg pesticides and perfume and surfactant.
Physical properties about 4-Methyl-benzenemethanol are: (1)ACD/LogP: 1.50; (2)ACD/LogD (pH 5.5): 1.49; (3)ACD/LogD (pH 7.4): 1.49; (4)ACD/BCF (pH 5.5): 8.05; (5)ACD/BCF (pH 7.4): 8.05; (6)ACD/KOC (pH 5.5): 154.92; (7)ACD/KOC (pH 7.4): 154.92; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 37.52 cm3; (14)Molar Volume: 119.5 cm3; (15)Polarizability: 14.87×10-24cm3; (16)Surface Tension: 38.8 dyne/cm; (17)Density: 1.022 g/cm3; (18)Flash Point: 105 °C; (19)Enthalpy of Vaporization: 48.07 kJ/mol; (20)Boiling Point: 218.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0733 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-methyl-benzoic acid methyl ester. This reaction will need reagent NaBH4 and solvent H2O, dioxane. The reaction time is 12 hours at ambient temperature. The yield is about 80%.
Uses of 4-Methyl-benzenemethanol: it can be used to produce 4-methyl-benzaldehyde. It will need reagent O2, tetra-O-acetylriboflavin, sodium dodecylsulfate and solvent H2O.
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: OCc1ccc(cc1)C
(2)InChI: InChI=1/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
(3)InChIKey: KMTDMTZBNYGUNX-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
(5)Std. InChIKey: KMTDMTZBNYGUNX-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 324mg/kg (324mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984. | |
mouse | LD50 | oral | 1400mg/kg (1400mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 347, 1962. | |
rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 839, 1982. | |
rat | LD50 | oral | 3900mg/kg (3900mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 839, 1982. |