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95-48-7

Basic Information
CAS No.: 95-48-7
Name: Phenol,2-methyl-
Molecular Structure:
Molecular Structure of 95-48-7 (Phenol,2-methyl-)
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: ToxicT
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
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  • 95-48-7 o-CresolCAS NO.: 95-48-7

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  • o-Cresol

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    95-48-7

    o-Cresol

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    GIHI CHEMICALS CO.,LIMITED, its former company is a small manufacturer who is specialized in the production of ester products which are used in the daily chemicals ,cosmetic produc

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  • O-cresol

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    95-48-7

    O-cresol

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    Xiamen Aeco Chemical Industrial Co., Ltd(same as Aecochem Corp.) An ISO 9001:2015 Certified Company Your Partner in China, a Professional chemical raw material supplier, our

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  • o-Cresol

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    95-48-7

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    Located in Zhengdong New District,?Zhengzhou of Henan province, Henan Allgreen Chemical Co.,Ltd is a comprehensive high-tech modern enterprises integrating professional R&D, pro

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  • o-Cresol

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    95-48-7

    o-Cresol

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  • 2-Methylphenol

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    95-48-7

    2-Methylphenol

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  • o-Cresol

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    o-Cresol

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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