CAS No.452-86-8,4-Methylcatechol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	452-86-8
Name:	4-Methylcatechol
Article Data:	119

Formula:	C₇H₈O₂
Molecular Weight:	124.139
Synonyms:	Pyrocatechol,4-methyl- (6CI,8CI);1,2-Dihydroxy-4-methylbenzene;1-Methyl-3,4-dihydroxybenzene;2-Hydroxy-4-methylphenol;3,4-Dihydroxytoluene;4-Methyl-1,2-benzenediol;4-Methyl-1,2-dihydroxybenzene;4-Methylbenzcatechin;4-Methylpyrocatechol;5-Methylcatechol;Homocatechol;Homopyrocatechol;NSC 17489;Toluene-3,4-diol;p-Methylcatechol;p-Methylpyrocatechol;
EINECS:	207-214-5
Density:	1.21 g/cm³
Melting Point:	67-69 °C(lit.)
Boiling Point:	247.7 °C at 760 mmHg
Flash Point:	121.1 °C
Solubility:	soluble in water
Appearance:	white to brown powder or chunks
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
Transport Information:	UN 2811
PSA:	40.46000
LogP:	1.40620

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Specification

The CAS register number of 4-Methylcatechol is 452-86-8. It also can be called as 3,4-Dihydroxytoluene and the IUPAC name about this chemical is 4-methylbenzene-1,2-diol. The molecular formula about this chemical is C₇H₈O₂and the molecular weight is 124.14. It belongs to the following product categories, such as Aromatic Hydrocarbons (substituted) & Derivatives; Pharmaceutical Intermediate and so on. This chemical is used for sterilizing mold in photosensitive materials and made into apple-type flavor. As an intermediate, it is used for synthesizing antibacterial agent and antioxidant. It is also used as high performance inhibitor. This chemical can be produced by the oxidation of Natural 4 - methyl guaiacol. If you want to store this chemical, please keep it in a tightly closed container and store it in a cool, dry place.

Physical properties about 4-Methylcatechol are: (1)ACD/LogP: 1.34; (2)ACD/LogD (pH 5.5): 1.34; (3)ACD/LogD (pH 7.4): 1.34; (4)ACD/BCF (pH 5.5): 6.14; (5)ACD/BCF (pH 7.4): 6.11; (6)ACD/KOC (pH 5.5): 127.64; (7)ACD/KOC (pH 7.4): 127; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 18.46Å²; (12)Index of Refraction: 1.594; (13)Molar Refractivity: 34.84 cm³; (14)Molar Volume: 102.5 cm³; (15)Polarizability: 13.81x10^-24cm³; (16)Surface Tension: 51.6 dyne/cm; (17)Enthalpy of Vaporization: 50.45 kJ/mol; (18)Boiling Point: 247.7 °C at 760 mmHg; (19)Vapour Pressure: 0.016 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methoxy-4-methyl-phenol. This reaction will need reagent concentrated hydriodic acid.

Uses of 4-Methylcatechol: it can be used to produce 4-bromo-5-methyl-pyrocatechol. This reaction will need reagent acetic acid and bromine.

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 protective clothing. 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: Oc1ccc(cc1O)C
(2)InChI: InChI=1/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
(3)InChIKey: ZBCATMYQYDCTIZ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
(5)Std. InChIKey: ZBCATMYQYDCTIZ-UHFFFAOYSA-N