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Basic information

  • Name:
  • Phenol,4-methyl-

  • Superlist Name:
  • p-Cresol
  • CAS No.:
  • 106-44-5

  • Molecular Structure:
  • Formula:
  • C7H8O
  • Molecular Weight:
  • 108.14
  • Synonyms:
  • 4-Methylphenol;Para-cresol;p-Cresol;1-Hydroxy-4-methylbenzene;1-Methyl-4-hydroxybenzene;4-Hydroxytoluene;Paramethyl phenol;FEMA Number 2337;FEMA No. 2337;UNII-1MXY2UM8NV;p-Cresylic acid;p-Hydroxytoluene;p-Tolyl alcohol;p-Toluol;
  • EINECS:
  • 203-398-6
  • Density:
  • 1.034 g/cm3
  • Melting Point:
  • 32-34 °C(lit.)
  • Boiling Point:
  • 202 °C at 760 mmHg
  • Flash Point:
  • 81 °C
  • Appearance:
  • colourless to pink crystalline
  • Hazard Symbols:
  • ToxicT,IrritantXi
  • Risk Codes:
  • 24/25-34-39/23/24/25-23/24/25
  • Safety Description:
  • 36/37/39-45-36/37 Details
  • Transport Information:
  • UN 3455 6.1/PG 2

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Consensus Reports

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

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; Phenol and p-Cresol in Urine, 8305.

Specification

The P-cresol, with the CAS register number 106-44-5, has other names as 1-methyl-4-hydroxybenzene;4-cresol;4-methyl-pheno;cresol, para;cresol,para-isomer;femanumber2337;paracresol;para-cresol .

The physical properties of this kind of chemcial are as followings: (1)#H bond acceptors:  1  ; (2)#H bond donors:  1  ; (3)#Freely Rotating Bonds:  1  ; (4)Polar Surface Area:  20.23  ; (5)Index of Refraction:  1.545  ; (6)Molar Refractivity:  32.95 cm3  ; (7)Molar Volume:  104.1 cm3  ; (8)Polarizability:  13.06 ×10-24 cm ; (9)Surface Tension:  38.8 dyne/cm  ; (10)Density:  1.038 g/cm3  ; (11)Flash Point:  81 °C  ; (12)Enthalpy of Vaporization:  45.61 kJ/mol  ; (13)Boiling Point:  202 °C at 760 mmHg  ; (14)Vapour Pressure:  0.211 mmHg at 25°C .

It is a kind of colourless to pink crystalline with smoky and herb smellings. It is soluble in water and aqueouscaustic and other organic solvent. Natuals exsit in Ylang Ylang oil, strawberry, cheese, coffee, and cocoa.

As for its usage, it is usually used in organic synthesis, and also be the material for making the antioxidant 264 and rubber antioxidant. When in plastic industry, it could be used as phenolic resin and plasticizer and then as the disinfectant in pharmaceutics. Besides, it is used as the raw material of dyeing and pesticide. Its product categories are including the following: industrial/fine chemicals;building blocks for liquid crystals;functional materials;phenols (building blocks for liquid crystals).
 
Being a kind of toxic chemical, it at low levels cause damage to health and if in contact with skin or swallowed or by inhalation, it will be very dangerous. Besides, it is irritant as it may cause inflammation to the skin or other mucous membranes and may causes burns. Then, it has danger of very serious irreversible effects. So while dealing with this chemical, you should be very cautious. 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). You could also get the safety information from refering to WGK Germany 1.

In addition, you could refer to the following data information to get the molecular structure:
SMILES:Cc1ccc(O)cc1
InChI:InChI=1/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey:IWDCLRJOBJJRNH-UHFFFAOYAN

Below are the toxicity information of this kind of chemcial:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo subcutaneous 80mg/kg (80mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
frog LDLo subcutaneous 150mg/kg (150mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
guinea pig LDLo subcutaneous 200mg/kg (200mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 58, 1959.
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 58, 1959.
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 LD50 unreported 160mg/kg (160mg/kg)   British Journal of Cancer. Vol. 6, Pg. 160, 1952.
 
mouse LDLo subcutaneous 150mg/kg (150mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
rabbit LD50 skin 301mg/kg (301mg/kg) BEHAVIORAL: TREMOR

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 5-5/1969,
rabbit LDLo intravenous 180mg/kg (180mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
rabbit LDLo oral 620mg/kg (620mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
rabbit LDLo subcutaneous 300mg/kg (300mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.

 

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