ChemicalBook--->CAS DataBase List--->2835-99-6

2835-99-6

2835-99-6 Structure

2835-99-6 Structure
IdentificationMore
[Name]

4-Amino-m-cresol
[CAS]

2835-99-6
[Synonyms]

2-AMINO-5-HYDROXYTOLUENE
4-AMINO-3-CRESOL
4-AMINO-3-METHYLPHENOL
4-AMINO-M-CRESOL
4-HYDROXY-2-METHYLANILINE
4-HYDROXY-O-TOLUIDINE
JAROCOL 4A3MP
P-AMINO-M-CRESOL
2-Methyl-4-hydroxyaniline
3-Methyl-4-aminophenol
4-amino-3-methyl-pheno
4-amino-cresol
4-amino-m-creso
4-amino-m-cresol,4-hydroxy-o-toluidine,4-amino-3-methylphenol
m-Cresol, 4-amino-
Phenol, 4-amino-3-methyl-
p-Hydroxy-o-toluidine
4-Amino-3-methylphenol,98%
4-amino-meta-cresol
4-Amino-m-cresol
4-Amino-3-methylphenol
[EINECS(EC#)]

220-621-2
[Molecular Formula]

C7H9NO
[MDL Number]

MFCD00007871
[Molecular Weight]

123.15
[MOL File]

2835-99-6.mol
Chemical PropertiesBack Directory
[Appearance]

Light gray powder
[Melting point ]

176-179 °C (lit.)
[Boiling point ]

229.26°C (rough estimate)
[density ]

1.0877 (rough estimate)
[refractive index ]

1.5380 (estimate)
[storage temp. ]

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

soluble in Methanol
[form ]

Powder
[pka]

10.34±0.18(Predicted)
[color ]

Brown
[Water Solubility ]

insoluble
[BRN ]

2078803
[Cosmetics Ingredients Functions]

HAIR DYEING
[Cosmetic Ingredient Review (CIR)]

4-Amino-3-methylphenol (2835-99-6)
[InChI]

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

QGNGOGOOPUYKMC-UHFFFAOYSA-N
[SMILES]

Cc1cc(O)ccc1N
[LogP]

0.51 at 22℃
[CAS DataBase Reference]

2835-99-6(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Amino-3-methyl phenol(2835-99-6)
[EPA Substance Registry System]

2835-99-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H400
[Precautionary statements ]

P273-P301+P312+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
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 .
S37/39:Wear suitable gloves and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
[RIDADR ]

UN3077
[WGK Germany ]

3
[RTECS ]

GO6826000
[F ]

8-10-23
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29222900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Amino-m-cresol(2835-99-6).msds
Hazard InformationBack Directory
[Description]

4-Amino-3-methylphenol is a metabolite of 3-methyl-4-nitrophenol. It is a major metabolite of carcinogenic o-toluidine and causes DNA damage in the presence of Cu(II).
[Chemical Properties]

Light gray powder
[Uses]

4-Amino-3-methylphenol is a useful reagent for the synthesis of piperidine (piperazine)-amide substituted derivatives as multi-target antipsychotics.
4-Amino-3-methylphenol was used in synthesis of a new type of tweezer-molecule in which a strongly preferred binding conformation is generated by convergent, intramolecular hydrogen bonding.
[Application]

4-Amino-m-cresol is used as an oxidative hair dye at a maximum concentration of 1.5% after mixing with peroxide.?
[Definition]

ChEBI: A substituted aniline in which the aniline ring carries 4-hydroxy and 6-methyl substituents; a urinary metabolite of lidocaine.
[General Description]

4-Amino-3-methylphenol is a metabolite of 3-methyl-4-nitrophenol. It is a major metabolite of carcinogenic o-toluidine and causes DNA damage in the presence of Cu(II).
[Flammability and Explosibility]

Notclassified
[Synthesis]

The synthesis of 4-Amino-3-methylphenol is as follows:A mixture of the para-benzoquinone mono-oxime (1.26 mmol),SnCl2 (0.72 g, 3.80 mmol), 20 mL of CH2Cl2, and 0.2 mL of concentrated HCl, was heated to reflux for 16 h. The CH2Cl2 was removed under reduced pressure, and the residue was dissolved in ethyl acetate and washed with concentrated aqueous NaHCO3. The organic layer was dried over anhydrous Na2SO4 and the filtrate was concentrated under reduced pressure to afford the solid product.
2835-99-6.png
[Purification Methods]

Crystallise it from 50% EtOH. [Beilstein 13 H 593, 13 IV 1698.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Amino-m-cresol(2835-99-6)1HNMR
4-Amino-m-cresol(2835-99-6)13CNMR
4-Amino-m-cresol(2835-99-6)IR1
4-Amino-m-cresol(2835-99-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Amino-m-cresol, 99+%(2835-99-6)
[Alfa Aesar]

4-Amino-3-methylphenol, 98%(2835-99-6)
[Sigma Aldrich]

2835-99-6(sigmaaldrich)
[TCI AMERICA]

4-Amino-m-cresol,>98.0%(T)(2835-99-6)
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