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Home > Encyclopedia > 5,7-Dihydroxy-4-methylcoumarin

5,7-Dihydroxy-4-methylcoumarin

5,7-Dihydroxy-4-methylcoumarin structure

5,7-Dihydroxy-4-methylcoumarin 

structure
  • CAS No:

    2107-76-8

  • Formula:

    C10H8O4

  • Chemical Name:

    5,7-Dihydroxy-4-methylcoumarin

  • Synonyms:

    2H-1-Benzopyran-2-one,5,7-dihydroxy-4-methyl-;Coumarin,5,7-dihydroxy-4-methyl-;5,7-Dihydroxy-4-methyl-2H-1-benzopyran-2-one;4-Methyl-5,7-dihydroxycoumarin;5,7-Dihydroxy-4-methylcoumarin;NSC 5302;5,7-Dihydroxy-4-methyl-chromen-2-one;5,7-Dihydroxy-4-methyl-2H-chromen-2-one

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Description

5,7-Dihydroxy-4-methylcoumarin is a coumarin derivative from Mexican tarragon[1].


5,7-dihydroxy-4-methyl coumarin is a yellow powder. Fluoresces blue. Absorbs ultraviolet light. (NTP, 1992)


5,7-dihydroxy-4-methyl coumarin is a yellow powder. Fluoresces blue. Absorbs ultraviolet light. (NTP, 1992)|5,7-Dihydroxy-4-methylcoumarin is a hydroxycoumarin.

5,7-Dihydroxy-4-methylcoumarin Basic Attributes

192.17

192.17

179133

218-289-9

VP62D4346M

5302

DTXSID0025078

NEEDLES FROM ALCOHOL, LEAVES FROM ACETIC ACID|YELLOW TO WHITE SOLID

2932209090

Characteristics

66.8

2.58

5,7-dihydroxy-4-methyl coumarin is a yellow powder. Fluoresces blue. Absorbs ultraviolet light. (NTP, 1992)

1.5±0.1 g/cm3

282-284 °C

472.1±14.0 °C at 760 mmHg

197.9±13.6 °C

1.652

SOL IN SODIUM HYDROXIDE

134.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

FLUORESCES BLUE, ABSORBS UV LIGHT

Slightly water soluble (NTP, 1992).

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

5,7-DIHYDROXY-4-METHYL COUMARIN is a phenol and lactone. Phenols do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid. Lactones react similarly to esters. 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

IRRITANT

3

36/37/38

26-36

Xi

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

H315

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

|Warning|H315 (97.83%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fires involving this material should be controlled using 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 ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 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 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 in a refrigerator. (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)

5,7-DHMC

5,7-Dihydroxy-4-methylcoumarin Use and Manufacturing

Methods of Manufacturing

CONDENSATION OF PHLOROGLUCINOL WITH ACETOACETIC ESTER IN PRESENCE OF ACID CATALYST

Uses

IN SUNTAN OILS AS SUN SCREEN; IN WALL PAINTS AS WHITENING AGENT|COUPLER IN HAIR DYE PREPARATIONS|OPTICAL BRIGHTENER IN DYES, SOAPS, PLASTICS

Production

(1977) NOT PRODUCED COMMERCIALLY IN US|(1979) NOT PRODUCED COMMERCIALLY IN US

2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-methyl-: INACTIVE

Computed Properties

Molecular Weight:192.17
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:192.04225873
Monoisotopic Mass:192.04225873
Topological Polar Surface Area:66.8
Heavy Atom Count:14
Complexity:284
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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