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| CAS No.: | 95-71-6 |
|---|---|
| Name: | 2-Methylhydroquinone |
| Molecular Structure: | |
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| Formula: | C7H8O2 |
| Molecular Weight: | 124.139 |
| Synonyms: | Hydroquinone,methyl- (6CI,8CI);1,4-Dihydroxy-2-methylbenzene;2,5-Dihydroxytoluene;2,5-Toluenediol;2-Methyl-1,4-benzenediol;2-Methyl-1,4-dihydroxybenzene;2-Methyl-1,4-hydroquinone;2-Methyl-p-hydroquinone;4-Hydroxy-2-methylphenol;M-HQ;Methyl-p-hydroquinone;Methylhydroquinone; |
| EINECS: | 202-443-7 |
| Density: | 1.21 g/cm3 |
| Melting Point: | 128-130 °C(lit.) |
| Boiling Point: | 277.8 °C at 760 mmHg |
| Flash Point: | 140.2 °C |
| Solubility: | 77 g/L (25 °C) in water |
| Appearance: | white solid |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 26-36 |
| Transport Information: | UN 2811 |
| PSA: | 40.46000 |
| LogP: | 1.40620 |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; Ti-superoxide In water; acetic acid for 1.25h; Product distribution / selectivity; Heating / reflux; | A 0.5% B 99% |
| Conditions | Yield |
|---|---|
| With sodium dithionite In diethyl ether; dichloromethane; water at 20℃; | 98% |
| With hydrogen; palladium on activated charcoal In ethyl acetate for 4h; Ambient temperature; | 96% |
| With 1,1,3,3-Tetramethyldisiloxane; iodine In dichloromethane for 0.5h; Heating; | 90% |
| Conditions | Yield |
|---|---|
| With cis-bisglycinato copper(II) monohydrate; dihydrogen peroxide at 20℃; Oxidation; | 98% |
| With sulfuric acid bei der elektrolytischen Oxydation; | |
| With dihydrogen peroxide; acetic acid at 60℃; |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; Ti-superoxide In water; acetic acid at 50 - 60℃; for 1.25h; Product distribution / selectivity; Heating / reflux; | A 3% B 96% |
| With dihydrogen peroxide; copper(II) hydroxide phosphate In cyclohexane; water at 66℃; for 2h; Product distribution / selectivity; | |
| With dihydrogen peroxide; copper(II) hydroxide phosphate In n-heptane; water at 73℃; for 2h; Product distribution / selectivity; |
| Conditions | Yield |
|---|---|
| With methyllithium In tetrahydrofuran; diethyl ether at -78℃; for 1h; | A 9% B 91% |
1,4-O-di-propanoylmethylhydroquinone
C
2-methylbenzene-1,4-diol
| Conditions | Yield |
|---|---|
| With isopropyl alcohol; Candida antarctica lipase B; immobilized In di-isopropyl ether at 45℃; for 1h; Title compound not separated from byproducts.; | A 81.6% B 4.5% C 13.9% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; dihydrogen peroxide In acetonitrile at 50℃; for 3h; the excess of H2O2 was removed by catalytic hydrogenation using 10percent Pd-C; | A 70.3% B n/a |
2-Methyl-1,4-benzoquinone
A
2-methylbenzene-1,4-diol
C
bis-(4-chloro-phenyl)-diazene
| Conditions | Yield |
|---|---|
| In tetrahydrofuran 0 deg C, 1 h, RT, 1 h, 55 deg C, 0.5 h; | A 67% B 9% C 6% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; sodium persulfate at 20℃; for 3h; | 66% |
| With dihydrogen peroxide; acetic acid at 20℃; | |
| With potassium nitrite; ethanol; acetic acid Erhitzen der Reaktionsloesung mit wss. H3PO4 und anschliessendes Reduzieren mit Na2S2O4; |
A
2-methylbenzene-1,4-diol
| Conditions | Yield |
|---|---|
| In toluene Heating; | A 20% B 43% |
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Reported in EPA TSCA Inventory.
2-Methylhydroquinone, with the CAS NO.95-71-6, is also called 2,5-Dihydroxytoluene; THQ; Toluhydroquinone; methyl hydroquinone; 2-Methylhydroquinone; P-toluhydroquinone; 2-Methyl Hydroquinone. It belongs to the Product Categories of Intermediates of Dyes and Pigments; Anthraquinones, Hydroquinones and Quinones; Building Blocks; Chemical Synthesis; Organic Building Blocks; Oxygen Compounds; Polyols. 2-Methylhydroquinone is a tan to white crystalline solid. 2-Methylhydroquinone undergoes chemical reactions similar to those of hydroquinone. The presence of a methyl group in the ortho position in the toluhydroquinone molecule accounts for the slight structural and behavioral differences between toluhydroquinone and hydroquinone. 2-Methylhydroquinone is a highly active inhibitor in the free radical polymerization of vinyl monomers and unsaturated polyesters.
Physical properties about 2-Methylhydroquinone are: (1)ACD/LogP: 1.002; (2)ACD/LogD (pH 5.5): 1.00; (3)ACD/LogD (pH 7.4): 1.00; (4)ACD/BCF (pH 5.5): 3.40; (5)ACD/BCF (pH 7.4): 3.40; (6)ACD/KOC (pH 5.5): 83.59; (7)ACD/KOC (pH 7.4): 83.54; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 34.841 cm3; (13)Molar Volume: 102.568 cm3 ; (14)Polarizability: 13.812 10-24cm3; (15)Surface Tension: 51.632999420166 dyne/cm; (16)Density: 1.21 g/cm3; (17)Flash Point: 140.247 °C; (18)Enthalpy of Vaporization: 53.714 kJ/mol; (19)Boiling Point: 277.798 °C at 760 mmHg; (20)Vapour Pressure: 0.00300000002607703 mmHg at 25°C
Uses of 2-Methylhydroquinone: It can be used as an effective polymerization retarder and inhibitor for acrylonitrile and vinyl monomers, and it is a useful antioxidant for oleate and linseed oil, etc. Also, it is used as a component of photographic developers and an inertmediate of photographic agents.
You can still convert the following datas into molecular structure:
(1)InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3;
(2)InChIKey=CNHDIAIOKMXOLK-UHFFFAOYSA-N;
(3)Smilesc1(c(ccc(c1)O)O)C;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | skin | > 1gm/kg (1000mg/kg) | Kodak Company Reports. Vol. 21MAY1971, | |
| mouse | LD50 | oral | > 400mg/kg (400mg/kg) | Kodak Company Reports. Vol. 21MAY1971, | |
| rat | LDLo | intraperitoneal | 200mg/kg (200mg/kg) | Kodak Company Reports. Vol. 21MAY1971, | |
| rat | LDLo | oral | 200mg/kg (200mg/kg) | Kodak Company Reports. Vol. 21MAY1971, |
