CAS No.95-48-7,o-Cresol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	95-48-7
Name:	o-Cresol
Article Data:	718

Formula:	C₇H₈O
Molecular Weight:	108.14
Synonyms:	o-Cresol(8CI);1-Hydroxy-2-methylbenzene;1-Methyl-2-hydroxybenzene;2-Cresol;2-Hydroxytoluene;2-Methylphenol;NSC 23076;NSC 36809;o-Cresylic acid;o-Hydroxytoluene;o-Methylphenol;o-Methylphenylol;o-Oxytoluene;o-Toluol;o-Cresol;
EINECS:	202-423-8
Density:	1.038 g/cm³
Melting Point:	30-34 °C
Boiling Point:	190.999 °C at 760 mmHg
Flash Point:	77.052 °C
Solubility:	20 g/L (20 °C) in water
Appearance:	colourless to light yellow liquid
Hazard Symbols:	T
Risk Codes:	24/25-34-39/23/24/25-23/24/25
Safety:	36/37/39-45-36/37
Transport Information:	UN 3455 6.1/PG 2
PSA:	20.23000
LogP:	1.70060

Synthetic route

: 1009-02-5
(2-methylphenoxy)trimethylsilane

: 95-48-7
ortho-cresol

Conditions

Conditions	Yield
montmorillonite K-10 for 0.0166667h; Solid phase reaction; desilylation; microwave irradiation;	100%
With Nanoporous Na+-Montmorillonite Perchloric Acid In ethanol at 20℃; for 0.0833333h;	90%
With hydrogenchloride In methanol Ambient temperature; Yield given;

: 56184-99-7
o-Tolyl N,N,N',N'-tetramethylphosphorodiamidate

: 95-48-7
ortho-cresol

Conditions

Conditions	Yield
With formic acid for 1h; Product distribution; Heating;	100%
In formic acid for 1h; Heating; Yield given;

: 16419-60-6
2-Methylphenylboronic acid

: 95-48-7
ortho-cresol

Conditions

Conditions	Yield
With 3,3'-dihexyloxy-1,1'-binaphthylidene-4,4'-dione; potassium hydroxide In tetrahydrofuran; water at 20℃;	100%
With dihydrogen peroxide at 20℃; for 0.25h; Green chemistry;	98%
With water; oxygen; sodium sulfite at 50℃; for 1h; Green chemistry;	97%

: 90-02-8
salicylaldehyde

: 95-48-7
ortho-cresol

Conditions

Conditions	Yield
With hydrogen In para-xylene at 120℃; under 750.075 Torr; for 24h; Glovebox; Sealed tube; chemoselective reaction;	99%
With formic acid; C18H14ClN4O2Ru(1+)*Cl(1-); sodium formate In water at 80℃; for 32h; Inert atmosphere;	70%
With acetic acid; zinc In ethanol at 180℃; for 0.25h; Solvent; Temperature; Microwave irradiation;	56%

: 583-59-5
2-Methylcyclohexanol

A: 95-48-7
ortho-cresol

B: 108-88-3
toluene

Conditions

Conditions	Yield
platinum; potassium oxide at 360℃;	A 98% B 2%
platinum; potassium oxide at 360℃; Product distribution; other content of catalyst;	A 98% B 2%

: 533-18-6
2-methylphenyl acetate

: 95-48-7
ortho-cresol

Conditions

Conditions	Yield
With sodium tetrahydroborate; cobalt(II) chloride In ethanol at 0 - 25℃; for 10h;	98%

: 120-65-0
ortho-dimethylaminomethylphenol

: 95-48-7
ortho-cresol

Conditions

Conditions	Yield
With hydrogen; nickel-titanium-aluminum In various solvent(s) at 160℃; for 3h;	97.8%
With hydrogen; nickel-titanium-aluminum In various solvent(s) at 160℃; for 3h; Product distribution; Rate constant; Thermodynamic data; other temperatures;	97.8%

: 615-37-2
ortho-methylphenyl iodide

: 95-48-7
ortho-cresol

Conditions

Conditions	Yield
With glycolic Acid; copper hydroxide; sodium hydroxide In water; dimethyl sulfoxide at 120℃; for 6h; Inert atmosphere; Schlenk technique;	97%
With copper(l) iodide; 8-quinolinol; potassium hydroxide In water; dimethyl sulfoxide; tert-butyl alcohol at 100℃; for 48h; Inert atmosphere;	96%
Stage #1: ortho-methylphenyl iodide With copper(l) iodide; 8-Hydroxyquinoline-N-oxide In dimethyl sulfoxide at 20℃; for 0.166667h; Inert atmosphere; Stage #2: With cesiumhydroxide monohydrate In water; dimethyl sulfoxide at 100℃; for 24h; Inert atmosphere;	95%

: 95932-31-3
1,1-dimethylethyl 2-methylphenyl carbonate

: 95-48-7
ortho-cresol

Conditions

Conditions	Yield
With erbium(III) triflate In ethanol for 25h; Microwave irradiation;	97%

: 259209-22-8
2-hydroxy-3-methylphenyl boronic acid

: 95-48-7
ortho-cresol

Conditions

Conditions	Yield
In dimethyl sulfoxide at 120℃; for 24h;	96%

Raw Materials

108-94-1

65-45-2

499-75-2

932-31-0

100-66-3

95-49-8

120-65-0

Downstream Products

87-85-4

824-42-0

19819-98-8

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Consensus Reports

EPA Extremely Hazardous Substances List. Community Right-To-Know List. EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 5 ppm (skin)
ACGIH TLV: TWA 5 ppm
NIOSH REL: (Cresol) TWA 10 mg/m³
DOT Classification: 6.1; Label: Poison

Analytical Methods

For occupational chemical analysis use NIOSH: Cresols, 2001.

Specification

The o-Cresol, with the cas registry number 95-48-7, has the IUPAC name of 2-methylphenol. Being a kind of colorless crystal, it is sensitive to light and air, and is stable chemically while incompatible with oxidizing agents, bases. And this is insoluble in water, aqueouscaustic and other organic solvents.

The characteristics of o-Cresol are as follows:
(1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.62; (6)ACD/BCF (pH 7.4): 17.6; (7)ACD/KOC (pH 5.5): 271.31; (8)ACD/KOC (pH 7.4): 270.98; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 32.95 cm³; (15)Molar Volume: 104.1 cm³; (16)Polarizability: 13.06 ×10^-24 cm³; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.038 g/cm³; (19)Flash Point: 77.1 °C; (20)Enthalpy of Vaporization: 44.47 kJ/mol; (21)Boiling Point: 191 °C at 760 mmHg; (22)Vapour Pressure: 0.379 mmHg at 25°C; (23)Exact Mass: 108.057515; (24)MonoIsotopic Mass: 108.057515; (25)Topological Polar Surface Area: 20.2; (26)Heavy Atom Count: 8; (27)Complexity: 70.8.

The production methods of o-Cresol are as below:
The first way: prepare the carbolic acid and then react with the alkylating agent of carbinol and the catalytic agent to produce o-Cresol; The second way: diazotize and then hydrolyze the Ortho Toluidine to produce o-Cresol; The third way: prepare the material of phenol and carbinol and then have the methylation with the manometer pressure of 4.14MPa and existence of aluminium oxide to get this chemical.

Uses of o-Cresol:
As to its usage, it is widely applied in many ways. It could be used as the intermediate of pesticide and herbicide, disinfectant, preservative and diluent and also in synthesis of coumarin ; It could be also used in organic synthesis and analysis reagent.

Safety Information of o-Cresol:
When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. This is a kind of toxic chemical which could at low levels cause damage to health. And it has the danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection, and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=CC=CC=C1O
(2)InChI: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
(3)InChIKey: QWVGKYWNOKOFNN-UHFFFAOYSA-N

Below are the toxicity information of o-Cresol:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LDLo	subcutaneous	55mg/kg (55mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
dog	LDLo	intravenous	80mg/kg (80mg/kg)		"Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 57, 1959.
frog	LDLo	subcutaneous	200mg/kg (200mg/kg)		"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
guinea pig	LDLo	intraperitoneal	720mg/kg (720mg/kg)		"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
guinea pig	LDLo	subcutaneous	35mg/kg (35mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BEHAVIORAL: EXCITEMENT	Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.
mouse	LC50	inhalation	179mg/m3/2H (179mg/m3)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 40, 1982.
mouse	LD50	oral	344mg/kg (344mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974.
mouse	LDLo	intraperitoneal	200mg/kg (200mg/kg)		Revue Belge de Pathologie et de Medecine Experimentale. Vol. 22, Pg. 1, 1952.
mouse	LDLo	subcutaneous	410mg/kg (410mg/kg)		Zeitschrift fuer Hygiene und Infektionskrankheiten. Vol. 64, Pg. 113, 1909.
rabbit	LD50	skin	890mg/kg (890mg/kg)		Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
rabbit	LDLo	intravenous	180mg/kg (180mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
rabbit	LDLo	oral	940mg/kg (940mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
rabbit	LDLo	subcutaneous	450mg/kg (450mg/kg)		"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
rat	LC50	inhalation	> 1220mg/m3/1H (1220mg/m3)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 4-5/1969,
rat	LD50	oral	121mg/kg (121mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH	BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 4-5/1969,
rat	LD50	skin	620mg/kg (620mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974.
rat	LDLo	subcutaneous	65mg/kg (65mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA	Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895