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95-63-6

Name 1,2,4-Trimethylbenzene
CAS 95-63-6
EINECS(EC#) 202-436-9
Molecular Formula C9H12
MDL Number MFCD00008527
Molecular Weight 120.19
MOL File 95-63-6.mol

Chemical Properties

Appearance colourless liquid
Melting point  -44 °C
Boiling point  168 °C(lit.)
density  0.876 g/mL at 20 °C(lit.)
vapor density  4.1 (vs air)
vapor pressure  4.5 mm Hg ( 37.7 °C)
refractive index  n20/D 1.504(lit.)
Fp  120 °F
storage temp.  2-8°C
solubility  0.057g/l
form  Liquid
pka >14 (Schwarzenbach et al., 1993)
color  Clear colorless
Odor char. aromatic odor
Stability: Stable. Incompatible with strong oxidizing agents. Flammable. May form explosive mixtures with air.
explosive limit 0.8-7%(V)
Odor Threshold 0.12ppm
Water Solubility  Soluble in alcohol, benzene and ether. Slightly soluble in water
Merck  14,7915
BRN  1903005
Henry's Law Constant 6.946, 11.202, and 15.702 at 27.0, 35.0, and 45.0 °C, respectively (dynamic headspace, Hansen et al., 1995)
Dielectric constant 2.4(16℃)
Exposure limits NIOSH REL: TWA 25 ppm (125 mg/m3); ACGIH TLV: TWA for mixed isomers 25 ppm (adopted).
InChIKey GWHJZXXIDMPWGX-UHFFFAOYSA-N
LogP 3.630
CAS DataBase Reference 95-63-6(CAS DataBase Reference)
EPA Substance Registry System 1,2,4-Trimethylbenzene (95-63-6)

Safety Data

Hazard Codes  Xn,N,F,Xi,T
Risk Statements 
R10:Flammable.
R20:Harmful by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
S16:Keep away from sources of ignition-No smoking .
S7:Keep container tightly closed .
RIDADR  UN 3295 3/PG 3
WGK Germany  2
RTECS  DC3325000
Autoignition Temperature 959 °F
Hazard Note  Irritant/Flammable
TSCA  Yes
HazardClass  3
PackingGroup  III
HS Code  29029090
Safety Profile
Moderately toxic by intraperitoneal route. Mildly toxic by inhalation. Can cause central nervous system depression, anemia, bronchitis. Flammable liquid when exposed to heat, sparks, or flame. To fight fire, use foam, alcohol foam, mist. Emitted from modern building materials (CENEAR 69,22,91). When heated to decomposition it emits acrid smoke and irritating fumes.
Hazardous Substances Data 95-63-6(Hazardous Substances Data)
Toxicity
LD50 i.p. in male, female mice (mg/kg): 5000, 4100 (Janik-Spiechowicz)

Hazard Information

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