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Home > Encyclopedia > Methyl 4-methylbenzoate

Methyl 4-methylbenzoate

Methyl 4-methylbenzoate structure

Methyl 4-methylbenzoate 

structure
  • CAS No:

    99-75-2

  • Formula:

    C9H10O2

  • Chemical Name:

    Methyl 4-methylbenzoate

  • Synonyms:

    Benzoic acid,4-methyl-,methyl ester;p-Toluic acid,methyl ester;Methyl p-toluate;p-Carbomethoxytoluene;Methyl 4-toluate;Methyl 4-methylbenzoate;Methyl p-methylbenzoate;4-(Methoxycarbonyl)toluene;4-Methylbenzoic acid methyl ester;Methyl p-toluenecarboxylate;p-(Methoxycarbonyl)toluene;NSC 24761

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

white low melting crystalline solid and/or


Opaque colorless to white shiny crystalline solid. Intense unpleasant odor. (NTP, 1992)


Opaque colorless to white shiny crystalline solid. Intense unpleasant odor. (NTP, 1992)

Methyl 4-methylbenzoate Basic Attributes

150.17

150.17

1100609

202-784-1

964JP0ZZRG

24761

DTXSID4025668

CRYSTALS FROM AQ METHANOL OR PETROLEUM ETHER|WHITE CRYSTALLINE SOLID

29163900

Characteristics

26.3

2.7

Opaque colorless to white shiny crystalline solid. Intense unpleasant odor. (NTP, 1992)

1.058 g/cm3 @ Temp: 25 °C

33.2 °C

222.5 °C @ Press: 760 Torr

90 °C

1.509

H2O: <0.1 g/100 mL at 22 ºC;VERY SOL IN ALCOHOL, ETHER

Store below +30°C.

1 mm Hg ( 39 °C)

4.7 (vs air)

LD50 oral in rat: 3300mg/kg

1-9.5%(V)

Insoluble in water.

Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

METHYL-P-TOLUATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Safety Information

NONH for all modes of transport

2

36/37/38

37/39-26-36

XU2150000

Xi

Stable at room temperature in closed containers under normal storage and handling conditions.

P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

H315

A REVIEW WITH 13 REFERENCES ON TOXICITY, INHALATION, IRRITATION AND SENSITIZATION.[OPDYKE DL J; MONOGRAPHS ON FRAGRANCE RAW MATERIALS. METHYL P-TOLUATE; FOOD COSMET TOXICOL 17(SUPPL) 873 (1979)]

This chemical is combustible. (NTP, 1992)

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 195 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this material at ambient temperatures. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Drug Information

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Methyl 4-methylbenzoate Use and Manufacturing

Methods of Manufacturing

PRODUCED AS AN ISOLATED OR RECYCLED BYPRODUCT OF DIMETHYL TEREPHTHALATE MFR BY OXIDATION OF P-XYLENE & ESTERIFICATION OF METHYL ALCOHOL

Uses

Used as pharmaceutical intermediate

Production

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS|(1982) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Benzoic acid, 4-methyl-, methyl ester: ACTIVE

Food additives -> Flavoring Agents

Flavoring Agents

Computed Properties

Molecular Weight:150.17
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:150.068079557
Monoisotopic Mass:150.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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