99-04-7

Name m-Toluic acid
CAS 99-04-7
EINECS(EC#) 202-723-9
Molecular Formula C8H8O2
MDL Number MFCD00002523
Molecular Weight 136.15
MOL File 99-04-7.mol

Chemical Properties

Appearance White to yellowish crystals. Ionization constant 5.3 × 10?5. Slightly soluble in water; soluble in alcohol and ether. Combustible.
Melting point  107-113 °C (lit.)
Boiling point  263 °C (lit.)
bulk density 500kg/m3
density  1.054 g/mL at 25 °C(lit.)
vapor pressure  0.019Pa at 25℃
refractive index  1.509
Fp  150 °C
storage temp.  Store below +30°C.
solubility  Soluble in alcohol and ether.
form  Crystalline Solid
pka 4.27(at 25℃)
color  Slightly yellow to beige-yellow
Odor Floral-honey odor
PH 3.4 (H2O, 20℃)(saturated solution)
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
Water Solubility  <0.1 g/100 mL at 19 ºC
Specific Heat Capacity Cp(crystal):1.20162J/(g·K),at 25℃
Merck  14,9535
BRN  970526
Henry's Law Constant 6.6×100 mol/(m3Pa) at 25℃, Mackay et al. (2006)
InChI 1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey GPSDUZXPYCFOSQ-UHFFFAOYSA-N
SMILES Cc1cccc(c1)C(O)=O
LogP 2.37
Uses
Organic synthesis, to form N,N-diethyl-mtoluamide, a broad-spectrum insect repellent.
CAS DataBase Reference 99-04-7(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 3-methyl-(99-04-7)
EPA Substance Registry System 99-04-7(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P264-P280-P305+P351+P338-P337+P313
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  XU1200000
Autoignition Temperature 500 °C
TSCA  Yes
REACH Registrations Active
HS Code  29163900
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Toxicity
LD50 orally in Rabbit: 7000 mg/kg

Hazard Information

Material Safety Data Sheet(MSDS)

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