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2835-95-2

2835-95-2 Structure

2835-95-2 Structure
IdentificationMore
[Name]

5-Amino-o-cresol
[CAS]

2835-95-2
[Synonyms]

3-HYDROXY-4-METHYLANILINE
4-AMINO-2-HYDROXYTOLUENE
5-AMINO-2-METHYLPHENOL
5-AMINO-O-CRESOL
JAROCOL 2M5AP
2-Hydroxy-4-aminotoluene
2-hydroxy-p-toluidine
2-methyl-5-aminophenol
3-Amino-6-methylphenol
3-Hydroxy-p-toluidine
5-amino-2-methyl-pheno
6-methyl-3-aminophenol
Rodol PAOC
4-Amino-2-HydroxyToluene(=5-Amino-O-Cresol)
Phenol, 5-amino-2-methyl-
5-AMINO-O-CRESOL (2-METHYL-5-AMINOPHENOL)
5-AMINO-2-CRESOL
5-AMINO-ORTHO-CRESOL
5-Amino-o-kresol
5-amino-o-cresol, 4-amino-2-hydroxytoluene
[EINECS(EC#)]

220-618-6
[Molecular Formula]

C7H9NO
[MDL Number]

MFCD00043922
[Molecular Weight]

123.15
[MOL File]

2835-95-2.mol
Chemical PropertiesBack Directory
[Appearance]

Beige crystals
[Melting point ]

160-162 °C(lit.)
[Boiling point ]

229.26°C (rough estimate)
[density ]

1.0877 (rough estimate)
[vapor pressure ]

0.002Pa at 25℃
[refractive index ]

1.5380 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Powder
[pka]

10.36±0.10(Predicted)
[color ]

Pale brown
[Water Solubility ]

4.11g/L at 20℃
[BRN ]

2802317
[Cosmetics Ingredients Functions]

HAIR DYEING
[Cosmetic Ingredient Review (CIR)]

5-Amino-o-cresol (2835-95-2)
[InChI]

1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,8H2,1H3
[InChIKey]

DBFYESDCPWWCHN-UHFFFAOYSA-N
[SMILES]

Cc1ccc(N)cc1O
[LogP]

0.53 at 20℃
[CAS DataBase Reference]

2835-95-2(CAS DataBase Reference)
[EPA Substance Registry System]

2835-95-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

1
[RTECS ]

SJ6090000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29222990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Hazardous Substances Data]

2835-95-2(Hazardous Substances Data)
[Toxicity]

bird - domestic,LD50,oral,562mg/kg (562mg/kg),Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
Hazard InformationBack Directory
[General Description]

Brown powder.
[Reactivity Profile]

3-AMINO-6-METHYLPHENOL(2835-95-2) reacts with strong oxidizing agents.
[Air & Water Reactions]

Insoluble in water.
[Fire Hazard]

Flash point data are not available for this chemical, but 3-AMINO-6-METHYLPHENOL is probably combustible.
[Chemical Properties]

Beige crystals
[Uses]

The spectrophotometric course of the reaction of 5-amino-2-methylphenol with p-benzoquinone di-imine was studied.
[Flammability and Explosibility]

Notclassified
[Synthesis]

3-Chloro-4-methylaniline

95-74-9

5-Amino-o-cresol

2835-95-2

General procedure for the synthesis of 2-methyl-5-aminophenol from 3-chloro-4-methylaniline: 1700 kg of 50% sodium hydroxide solution was added to a 4800 L autoclave, followed by 1850 kg of ethanol solution containing 1000 kg of 3-chloro-4-methylaniline. Then 50kg of cuprous chloride and 15kg of copper powder were added as catalyst. The reaction vessel was sealed and replaced with nitrogen five times to ensure an oxygen-free environment. The reaction mixture was heated to 175°C and maintained at this temperature for 4 hours, during which time it was sampled and analyzed to monitor the progress of the reaction. Upon completion of the reaction, the mixture was cooled to room temperature. Ethanol was recovered under reduced pressure and then the reaction mixture was filtered and transferred to an 8000 L tank. The pH was adjusted to weak acidity by adding 1450 kg of industrial hydrochloric acid to the filtrate. Extraction was carried out with 2000L of ethyl acetate for three times. The organic phases were combined and the ethyl acetate was recovered by distillation under reduced pressure to obtain the crude product. To the crude product, 1000kg of ethanol was added, heated to 60°C to dissolve, and then 50kg of activated carbon was added to decolorize. After stirring for 1 hour, the activated carbon was removed by hot filtration and the filtrate was cooled to 5°C for crystallization. Finally, 707kg of 2-methyl-5-aminophenol was obtained with a yield of 85.36% and a purity of 99.8%.

[References]

[1] Patent: CN107963974, 2018, A. Location in patent: Paragraph 0030-0032; 0036; 0037
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Hydroxy-4-methylaniline(2835-95-2).msds
Questions And AnswerBack Directory
[Application]

2-Methyl-5-aminophenol is a well-known intermediate among many phenol derivatives. Due to its good biological activity, it is often used as an important raw material or intermediate in the synthesis of pharmaceuticals and pesticides, playing an important role in the synthesis of phenolic drugs.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Amino-o-cresol(2835-95-2)MS
5-Amino-o-cresol(2835-95-2)1HNMR
5-Amino-o-cresol(2835-95-2)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Amino-o-cresol, 97%(2835-95-2)
[Sigma Aldrich]

2835-95-2(sigmaaldrich)
[TCI AMERICA]

5-Amino-o-cresol,>97.0%(T)(2835-95-2)
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