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3096-70-6

Basic Information
CAS No.: 3096-70-6
Name: 4-Amino-3,5-xylenol
Article Data: 36
Molecular Structure:
Molecular Structure of 3096-70-6 (4-Amino-3,5-xylenol)
Formula: C8H11NO
Molecular Weight: 137.181
Synonyms: 3,5-Xylenol,4-amino- (6CI,7CI,8CI);3,5-Dimethyl-4-aminophenol;4-Amino-3,5-dimethylphenol;4-Hydroxy-2,6-dimethylaniline;4-Hydroxy-2,6-xylidine;NSC38030;
EINECS: 221-448-5
Density: 1.118 g/cm3
Melting Point: 181 °C
Boiling Point: 296.5 °C at 760 mmHg
Flash Point: 133.1 °C
Appearance: Brown solid
Hazard Symbols: N
Risk Codes: 50
Safety: 61
PSA: 46.25000
LogP: 2.17240
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Chemistry

IUPAC Name: 4-Amino-3,5-dimethylphenol 
Following is the structure of Phenol,4-amino-3,5-dimethyl- (CAS NO.3096-70-6):
             
Empirical Formula: C8H11NO
Molecular Weight: 137.179
EINECS: 221-448-5
Index of Refraction: 1.6
Molar Refractivity: 42.02 cm3
Molar Volume: 122.6 cm3
Density: 1.118 g/cm3
Flash Point: 133.1 °C
Melting point: 181 °C
Surface Tension: 48.2 dyne/cm 
Enthalpy of Vaporization: 55.78 kJ/mol
Boiling Point: 296.5 °C at 760 mmHg
Vapour Pressure of Phenol,4-amino-3,5-dimethyl- (CAS NO.3096-70-6): 0.000807 mmHg at 25 °C
Canonical SMILES: CC1=CC(=CC(=C1N)C)O
InChI: InChI=1S/C8H11NO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,9H2,1-2H3
InChIKey: GCWYXRHXGLFVFE-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 412mg/kg (412mg/kg) BEHAVIORAL: GENERAL ANESTHETIC
LUNGS, THORAX, OR RESPIRATION: CYANOSIS
BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN
Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 72, Pg. 241, 1913.
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 11, 1953.

Safety Profile

RTECS: ZE6740000

Specification

 Phenol,4-amino-3,5-dimethyl- , its cas register number 3096-70-6. It also can be called 4-Amino-3,5-dimethylphenol ; 4-Amino-3,5-xylenol ; 1,3-Dimethyl-2-amino-5-xylenol ; 3,5-Dimethyl-4-aminophenol ; and 4-Hydroxy-2,6-dimethylaniline .