118-90-1

Name o-Toluic acid
CAS 118-90-1
EINECS(EC#) 204-284-9
Molecular Formula C8H8O2
MDL Number MFCD00002477
Molecular Weight 136.15
MOL File 118-90-1.mol

Chemical Properties

Appearance White crystals. Slightly soluble in water; soluble in alcohol and chloroform. Combustible.
Melting point  102-104 °C (lit.)
Boiling point  258-259 °C (lit.)
density  1.062 g/mL at 25 °C(lit.)
refractive index  1.512
Fp  148 °C
storage temp.  Sealed in dry,Room Temperature
solubility  1.2g/l
form  Needle-Like Crystalline Solid
pka 3.91(at 25℃)
color  White to slightly yellow
Specific Gravity 1.062
PH 3.1 (H2O, 20℃)(saturated aqueous solution)
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
Water Solubility  <0.1 g/100 mL at 19 ºC
Specific Heat Capacity Cp(crystal):1.28461J/(g·K),at 25℃
Merck  14,9535
BRN  1072103
Henry's Law Constant 9.7×100 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
InChI 1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey ZWLPBLYKEWSWPD-UHFFFAOYSA-N
SMILES Cc1ccccc1C(O)=O
Uses
Bacteriostat.
CAS DataBase Reference 118-90-1(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 2-methyl-(118-90-1)
EPA Substance Registry System 118-90-1(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  Xi,Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S22:Do not breathe dust .
WGK Germany  3
RTECS  XU1400000
TSCA  Yes
REACH Registrations Active
HS Code  29163900
Storage Class 11 - Combustible Solids

Hazard Information

Material Safety Data Sheet(MSDS)

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