8.09691

m-Cresol

for synthesis

• Synonym(s): m-Cresol, 3-Hydroxytoluol, 3-Methylphenol
• Linear Formula: 3-(CH₃)C₆H₄OH
• CAS Number: 108-39-4
• Molecular Weight: 108.14
• MDL number: MFCD00002302
• UNSPSC Code: 12352104
• EC Index Number: 203-577-9
• NACRES: NA.22

Properties

• vapor pressure: 0.065 hPa ( 20 °C)
• Quality Level: 200
• Assay: ≥99.0% (GC)
• form: liquid
• autoignition temp.: 626 °C
• potency: 242 mg/kg LD₅₀, oral (Rat)
• expl. lim.: 1.06 % (v/v)
• pH: 5 (20 °C, 20 g/L in H₂O)
• bp: 203 °C/1013 hPa
• mp: 11.5 °C
• transition temp: flash point 86 °C
• solubility: 23.5 g/L
• density: 1.03 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: Oc1cc(ccc1)C
• InChI: 1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
• InChI key: RLSSMJSEOOYNOY-UHFFFAOYSA-N

Description

Application

m-Cresol can be used as a starting material to synthesize:

• Thymol via isopropylation reaction with 2-propanol in the presence of an acid catalyst.[1][2]
• Terpolymeric resin by an acid-catalyzed polycondensation reaction with hexamine and formaldehyde.[3]
• 4,7-Dimethylcoumarin via modified Pechmann condensation reaction with ethyl acetoacetate.[4]

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.031 - 1.037
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.
Appearance: colorless to dark yellow/light brown. Material may darken with time.

Safety Information

• Pictograms: GHS06,GHS05
• Signal Word: Danger
• Hazard Statements: H301 + H311,H314,H412
• Precautionary Statements: P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P361 + P364
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1B
• Storage Class Code: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 2
• Flash Point(F): 186.8 °F - closed cup
• Flash Point(C): 86 °C - closed cup