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79822-46-1

4-tert-Butyl-3-methoxybenzoic acid is an organic compound belonging to the benzoic acid class. It is a white to off-white crystalline solid with the molecular formula C12H16O3. This chemical exhibits antioxidant properties and is considered a potential drug candidate for neurodegenerative diseases. However, it requires careful handling to avoid skin, eye, and respiratory irritation.

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  • 79822-46-1 Structure

  • Basic information

    1. Product Name: 4-tert-Butyl-3-methoxybenzoic acid
    2. Synonyms: 4-T-BUTYL-3-METHOXYBENZOIC ACID;4-TERT-BUTYL-3-METHOXYBENZOIC ACID;3-METHOXY-4-T-BUTYLBENZOIC ACID;3-METHOXY-4-TERT-BUTYLBENZOIC ACID;3-Methoxy-4-t-Butyl Benozic Acid;3-Methoxy-4-batylbenzoic acid;3-Methoxy-4-tert-butylbenozic acid;3-METHOXY-4-T-BUTYL-BENZOICACID 98%
    3. CAS NO:79822-46-1
    4. Molecular Formula: C12H16O3
    5. Molecular Weight: 208.25
    6. EINECS: N/A
    7. Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Carboxylic Acids;Phenyls & Phenyl-Het;Miscellaneous;Acids & Esters;Anisoles, Alkyloxy Compounds & Phenylacetates;Carboxylic Acids;Phenyls & Phenyl-Het
    8. Mol File: 79822-46-1.mol
    9. Article Data: 1

  • Chemical Properties

    1. Melting Point: 150-151 °C
    2. Boiling Point: 334.7 °C at 760 mmHg
    3. Flash Point: 125.2 °C
    4. Appearance: /
    5. Density: 1.08 g/cm3
    6. Vapor Pressure: 4.95E-05mmHg at 25°C
    7. Refractive Index: 1.516
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 4.28±0.10(Predicted)
    11. CAS DataBase Reference: 4-tert-Butyl-3-methoxybenzoic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-tert-Butyl-3-methoxybenzoic acid(79822-46-1)
    13. EPA Substance Registry System: 4-tert-Butyl-3-methoxybenzoic acid(79822-46-1)

  • Safety Data

    1. Hazard Codes: Xi,N,Xn
    2. Statements: 36/37/38-51/53-22
    3. Safety Statements: 26-36/37/39-61
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 79822-46-1(Hazardous Substances Data)

79822-46-1 Usage

Uses

Used in the Food and Cosmetics Industry:
4-tert-Butyl-3-methoxybenzoic acid is used as a fragrance and flavoring agent due to its aromatic properties, enhancing the sensory experience of various products.
Used in Pharmaceutical Production:
4-tert-Butyl-3-methoxybenzoic acid is utilized in the manufacturing of pharmaceuticals, potentially contributing to the development of new medications, including those for neurodegenerative diseases.
Used as a UV Stabilizer in Plastics:
4-tert-Butyl-3-methoxybenzoic acid serves as a UV stabilizer, protecting plastics from degradation caused by exposure to ultraviolet radiation, thereby extending their lifespan and maintaining their properties.
Used in Antioxidant Applications:
Due to its antioxidant characteristics, 4-tert-Butyl-3-methoxybenzoic acid is explored as a potential therapeutic agent for neurodegenerative diseases, where it may help mitigate oxidative stress associated with such conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 79822-46-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,9,8,2 and 2 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 79822-46:
(7*7)+(6*9)+(5*8)+(4*2)+(3*2)+(2*4)+(1*6)=171
171 % 10 = 1
So 79822-46-1 is a valid CAS Registry Number.
InChI:InChI=1/C12H16O3/c1-12(2,3)9-6-5-8(11(13)14)7-10(9)15-4/h5-7H,1-4H3,(H,13,14)

79822-46-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-tert-Butyl-3-methoxybenzoic acid

1.2 Other means of identification

Product number -
Other names 4-t-Butyl-3-methoxybenzoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:79822-46-1 SDS

79822-46-1Relevant articles and documents

Asymmetric synthesis of an N-acylpyrrolidine for inhibition of HCV polymerase

Agbodjan, Armel A.,Cooley, Bob E.,Copley, Royston C. B.,Corfield, John A.,Flanagan, Roy C.,Glover, Bobby N.,Guidetti, Rossella,Haigh, David,Howes, Peter D.,Jackson, Mary M.,Matsuoka, Richard T.,Medhurst, Katrina J.,Millar, Alan,Sharp, Matthew J.,Slater, Martin J.,Toczko, Jennifer F.,Xie, Shiping

, p. 3094 - 3102 (2008/09/19)

(Chemical Equation Presented) A practical asymmetric synthesis of a highly substituted N-acylpyrrolidine on multi-kilogram scale is described. The key step in the construction of the three stereocenters is a [3+2] cycloaddition of methyl acrylate and an i

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