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Substance Name: 2,4,6-Trimethylaniline
RN: 88-05-1
UNII: YIR5CRL5BG
InChIKey: KWVPRPSXBZNOHS-UHFFFAOYSA-N

Molecular Formula

  • C9-H13-N

Molecular Weight

  • 135.2087
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • Threshold Planning Quantity (TPQ) = 500 lb
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Names and Synonyms

Name of Substance

  • 2,4,6-Trimethylaniline

Synonyms

  • 1-Amino-2,4,6-trimethylbenzen
  • 1-Amino-2,4,6-trimethylbenzen [Czech]
  • 2,4,6-Trimethylaniline
  • 2,4,6-Trimethylbenzenamine
  • 2-Amino-1,3,5-trimethylbenzene
  • 2-Aminomesitylene
  • Aminomesitylene
  • Aniline, 2,4,6-trimethyl-
  • Benzenamine, 2,4,6-trimethyl-
  • CCRIS 2871
  • EINECS 201-794-3
  • HSDB 2694
  • Mesidin
  • Mesidin [Czech]
  • Mesidine
  • Mesitylamine
  • Mesitylene, 2-amino-
  • UNII-YIR5CRL5BG

Systematic Names

  • 2,4,6-Trimethylaniline
  • 2,4,6-Trimethylbenzenamine
  • Aniline, 2,4,6-trimethyl-
  • Benzenamine, 2,4,6-trimethyl-

Superlist Names

  • 2,4,6-Trimethylaniline
  • Aniline, 2,4,6-trimethyl-

Registry Numbers

CAS Registry Number

  • 88-05-1

FDA UNII

  • YIR5CRL5BG

Related Registry Number

  • 6334-11-8 (hydrochloride)

System Generated Number

  • 0000088051

Structure Descriptors

InChI

1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3

InChIKey

KWVPRPSXBZNOHS-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(c1)C)N)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 unreported 338mg/kg (338mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Hygiene and Sanitation Vol. 34(1-3), Pg. 13, 1969.
mammal (species unspecified) LD50 oral 372mg/kg (372mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(1), Pg. 92, 1975.
mouse LC50 inhalation 290mg/m3/2H (290mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 20, 1982.
mouse LD50 oral 590mg/kg (590mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 20, 1982.
mouse LD50 unreported 372mg/kg (372mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH
Hygiene and Sanitation Vol. 34(1-3), Pg. 13, 1969.
rabbit LD50 unreported 338mg/kg (338mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Hygiene and Sanitation Vol. 34(1-3), Pg. 13, 1969.
rabbit LDLo skin 220mg/kg (220mg/kg) LIVER: "HEPATITIS, FIBROUS (CIRRHOSIS, POST-NECROTIC SCARRING)"

BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 7(6), Pg. 61, 1963.
rabbit LDLo subcutaneous 220ug/kg (0.22mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 9(3), Pg. 55, 1965.
rat LD50 oral 743mg/kg (743mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 464, 1986.
rat LD50 unreported 506mg/kg (506mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Hygiene and Sanitation Vol. 34(1-3), Pg. 13, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.00E+00 deg C   EXP
Boiling Point 232.5 deg C   EXP
pKa Dissociation Constant 4.38 (none) 25 EXP
log P (octanol-water) 2.720 (none)   EST
Water Solubility 617 mg/L 25 EST
Vapor Pressure 0.067 mm Hg 25 EST
Henry's Law Constant 2.68E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.72E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.