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Methyl 4-formylbenzoate

Methyl 4-formylbenzoate structure

Methyl 4-formylbenzoate 

structure
  • CAS No:

    1571-08-0

  • Formula:

    C9H8O3

  • Chemical Name:

    Methyl 4-formylbenzoate

  • Synonyms:

    Benzoic acid,4-formyl-,methyl ester;Terephthalaldehydic acid,methyl ester;Methyl p-formylbenzoate;p-Formylbenzoic acid methyl ester;Methyl 4-formylbenzoate;4-(Methoxycarbonyl)benzaldehyde;4-Carbomethoxybenzaldehyde;Methyl benzaldehyde-4-carboxylate;4-Carboxybenzaldehyde methyl ester;p-Carbomethoxybenzaldehyde;p-(Methoxycarbonyl)benzaldehyde;Methyl terephthalaldehydate;4-Formylbenzoic acid methyl ester;Para(methoxycarbonyl)benzaldehyde;4-Formylbenzoic methyl ester;NSC 28459;1365387-11-6

  • Categories:

    Pharmaceutical Intermediates  >  Antifungals

Description

white crystalline powderNeedles (in water) or white powder.


Methyl-p-formylbenzoate appears as needles (in water) or white powder. (NTP, 1992)


Methyl-p-formylbenzoate appears as needles (in water) or white powder. (NTP, 1992)

Methyl 4-formylbenzoate Basic Attributes

164.16

164.16

775895

216-385-5

NH766742VV

28459

DTXSID4025610

29183000

Characteristics

43.4

1.7

White to cream or slightly green Crystalline Powder or Chunks

1,2 g/cm 3

62-63 °C

135 °C @ Press: 12 Torr

144 °C

1.5260 (estimate)

H2O: insoluble ;methanol: 0.1 g/mL, clear

Store below +30°C.

This chemical may be sensitive to prolonged exposure to air. (NTP, 1992). Insoluble in water.

Aldehydes

Peroxidizable Compound

METHYL-P-FORMYLBENZOATE is an aldehyde/ester. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation. 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

36/37/38-20/21/22

22-24/25

Xn,Xi

Irritant

Stable, though possibly air-sensitive. Combustible. Incompatible with strong oxidizing agents.

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302+H312+H332

Flash point data for this compound are not available. It is probably combustible. (NTP, 1992)

|Warning|H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 5 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 keep this material in a tightly closed container under an inert atmosphere, and store it at refrigerated temperatures. (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-formylbenzoate Use and Manufacturing

Methods of Manufacturing

PRODUCED AS AN UNISOLATED INTERMEDIATE IN PROCESS FOR MAKING DIMETHYL TEREPHTHALATE FROM P-XYLENE BY SUCCESSIVE OXIDATIONS & ESTERIFICATIONS

Uses

4-Formylbenzoic Acid Methyl Ester is a benzoic acid derivative with antioxidant activity.

Production

(1977) AT LEAST 4.54X10+8 GRAMS (UNISOLATED)|(1981) No Data

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

Computed Properties

Molecular Weight:164.16
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:164.047344113
Monoisotopic Mass:164.047344113
Topological Polar Surface Area:43.4
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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