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2-Amino-6-methylphenol

2-Amino-6-methylphenol structure

CAS No:
17672-22-9
Formula:
C7H9NO
Chemical Name:
2-Amino-6-methylphenol
Synonyms:
Phenol,2-amino-6-methyl-;o-Cresol,6-amino-;2-Amino-6-methylphenol;6-Amino-o-cresol;6-Amino-2-methylphenol;6-Methyl-2-aminophenol;6-Methyl-o-aminophenol;6-Amino-2-cresol;2-Hydroxy-3-methylaniline
Categories:
Cosmetic Ingredient > Hair Dyeing

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Description

Appearance:Light yellow crystal powder

2-Amino-6-methylphenol Basic Attributes

Molecular Weight：

123.15

Exact Mass：

123.15

UNII：

4N899ESJ5B

DSSTox ID：

DTXSID80170179

HScode：

29222990

Characteristics

PSA：

46.2

XLogP3：

1.5

Appearance：

Light yellow crystal powder

Density：

1.157±0.06 g/cm3(Predicted)

Melting Point：

89 °C

Boiling Point：

232.9±28.0 °C(Predicted)

Flash Point：

94.7±24.0 °C

Refractive Index：

1.616

Vapor Pressure：

0.0377mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

hazard class code：

22-36/37/38

safety instructions：

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Amino-6-methylphenol Use and Manufacturing

Methods of Manufacturing

B. A mixture of 2-methyl-6-nitrophenol (542 mg, 3.54 mmol), 10percent Pd/C (54 mg) in EtOAc/EtOH (5.5 mL/11 mL) was stirred under hydrogen at atmospheric pressure overnight. The mixture was filtered through Celite and the filtrate was concentrated to give 2-amino-6-methylphenol as a brown solid (373 mg, 85percent).An aqueous solution (50 mL) containing Na2S2O4 (40.93 g, 235 mmol) was slowly added to a solution of methanol (50 mL) containing compound 78 (6.0 g, 39 mmol)The reaction mixture was refluxed and stirred for 2 hours.After cooling at room temperature, the resulting solid was filtered off and the filtrate was concentrated under reduced pressure, EtOAc and water were added, the EtOAc layer was dried over Na2SO4, filtered under reduced pressure, and the filtrate was concentrated under reduced pressure to obtain Compound 79.To a 0 °C solution of glycerol (46 g, 0.5 mol), reagent 1 (12.3 g, 0.10mol) and nitrobenzene (12.3 g, 0.10 mol) was concentrated sulfuric acid (39.2 g, 0.4 mmol). The mixture was then stirred at 160 °C for 3 hours. The resulting solution was cooled to the room temperature and diluted with water (100 mL). It was then neutralized with saturated aqueous NaHCO3 solution to adjust pH = 7, and the resulting mixture was extracted with EtOAc (300mL x 3). The organic layers were combined, washed with brine (100 mL) and dried over Na2SO4. The Na2SO4 was removed by filtration, and the volatiles were removed under reduced pressure. The resulting residue was purified by flash chromatography using a mixture of hexane and ethyl acetate to obtain the pure product 2 (6.5 g, 41percent) as a yellow solid. LCMS(M+Hj m/z: cacld. 160.18, found 160.10; 'H-NMR (CDC13): 8.74(dd, 1H), 8.9 (dd, 1H), 7.33 - 7.38 (m, 2H), 7.26 (d, 1H), 2.48(s, 3H).

Use Classification：

Cosmetics -> Hair dyeing

Computed Properties

Molecular Weight:123.15
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:123.068413911
Monoisotopic Mass:123.068413911
Topological Polar Surface Area:46.2
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-Amino-6-methylphenol

Hangzhou KieRay Chem Co.,LTD Contact Supplier

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6-Amino-2-methylphenol

CAS No.: 17672-22-9

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Content: 98%

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6-Amino-2-methylphenol 99% high purity certified Professional producer Greenbo

CAS No.: 17672-22-9

Grade: Pharmaceutical Grade

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Henan Lihao Chem Plant Limited Contact Supplier

CN
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Trader Supplier of PVC resin,pvc paste resin,melamine

high quality C7H9NO 99% transparent liquid KANBEI

CAS No.: 17672-22-9

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Guide of 2-Amino-6-methylphenol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2-Amino-6-methylphenol

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