o-Cresol

Name: o-Cresol
Brand: MM

for synthesis

Synonym(s):

o-Cresol, 2-Hydroxytoluene, 2-Methylphenol

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About This Item

Linear Formula:

2-(CH₃)C₆H₄OH

CAS Number:

95-48-7

Molecular Weight:

108.14

UNSPSC Code:

12352104

EC Index Number:

202-423-8

NACRES:

NA.22

MDL number:

MFCD00002226

Grade:

synthesis grade

Assay:

≥99% (GC)

Bp:

191-192 °C/1013 hPa

Vapor pressure:

0.24 hPa ( 20 °C)

Key Documents

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Product Name

o-Cresol, for synthesis

SMILES string

Oc1c(cccc1)C

InChI

1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

InChI key

QWVGKYWNOKOFNN-UHFFFAOYSA-N

grade

synthesis grade

vapor pressure

0.24 hPa ( 20 °C)

assay

≥99% (GC)

form

solid

autoignition temp.

555 °C

potency

121 mg/kg LD₅₀, oral (Rat)
890 mg/kg LD₅₀, skin (Rabbit)

expl. lim.

1.3 % (v/v)

dilution

(for synthesis)

pH

4.8 (20 °C, 20 g/L in H₂O)

bp

191-192 °C/1013 hPa

mp

31 °C

transition temp

flash point 81 °C

solubility

20 g/L

density

1.046 g/cm³ at 20 °C

storage temp.

no temp limit

Quality Level

200

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Show Differences

1 of 4

This Item	8.05223	8.02295	C85700
Sigma-Aldrich 8.09692 o-Cresol	Sigma-Aldrich 8.05223 p-Cresol	Sigma-Aldrich 8.02295 4-Chloro-3-methylphenol	Sigma-Aldrich C85700 o-Cresol
assay ≥99% (GC)	assay ≥98.0% (GC)	assay ≥99.0% (GC)	assay ≥99%
Quality Level 200	Quality Level 200	Quality Level 200	Quality Level 100
solubility 20 g/L	solubility -	solubility 3.9 g/L	solubility -
form solid	form solid	form powder	form solid or liquid
expl. lim. 1.3 % (v/v)	expl. lim. 1 % (v/v)	expl. lim. -	expl. lim. 1.47 %, 148 °F
pH 4.8 (20 °C, 20 g/L in H₂O)	pH -	pH 6.5 (20 °C, 1 g/L in H₂O)	pH 4.5 (25 g/L)

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Melting range (lower value): ≥ 29 °C
Melting range (upper value): ≤ 33 °C
Water (K. F.): ≤ 0.10 %
Identity (IR): passes test
Due to its specific melting range the product may be solid, liquid, a solidified melt or a supercooled melt.

Application

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

Carvacrol by alkylation reaction with propylene or isopropyl alcohol in the presence of Zr/mesoporous silica as a catalyst.[1]
Polyisobutylenes by selective cationic polymerization of isobutylene using AlCl₃ as a catalyst.[2]
Poly(o-cresol) via oxidative coupling polymerization reaction in the presence of substituted pyridine/CuCl catalysts.[3]

pictograms

GHS06,GHS05

signalword

Danger

hcodes

H301 + H311,H314,H412

pcodes

P260 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1B

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 2

flash_point_f

177.8 °F - closed cup

flash_point_c

81.0 °C - closed cup

Certificates of Analysis (COA)

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Synthesis of highly reactive polyisobutylene by selective polymerization with o-cresol/AlCl3 initiating system

Zhang LB, et al.

Polymers For Advanced Technologies, 23(3) (2012)

Synthesis of carvacrol by Friedel-Crafts alkylation of o-cresol with isopropanol using superacidic catalyst UDCaT-5

Yadav GD and Kamble SB

Journal of Chemical Technology and Biotechnology, 84(10) (2009)