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813-67-2

2,2-Dimethylbutanoic acid methyl ester, also known as methyl 2,2-dimethylbutanoate, is an organic compound with the chemical formula C7H14O2. It is a colorless liquid with a fruity, apple-like odor. This ester is formed by the reaction of 2,2-dimethylbutanoic acid with methanol in the presence of a catalyst. It is widely used in the flavor and fragrance industry as a component in artificial fruit flavors, particularly apple and pear, due to its pleasant aroma. Additionally, it can be found in some natural essential oils and is used as a solvent in various chemical processes. The compound is generally recognized as safe (GRAS) by the FDA for use in food and beverages, but it should be handled with care due to its potential irritant properties.

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  • 813-67-2 Structure

  • Basic information

    1. Product Name: 2,2-Dimethylbutanoic acid methyl ester
    2. Synonyms: 2,2-Dimethylbutanoic acid methyl ester;α,α-Dimethylbutanoic acid methyl ester;Methyl 2,2-dimethylbutanoate
    3. CAS NO:813-67-2
    4. Molecular Formula: C7H14O2
    5. Molecular Weight: 130.18
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 813-67-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 127-127.5 °C
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 0.8820 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2,2-Dimethylbutanoic acid methyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2,2-Dimethylbutanoic acid methyl ester(813-67-2)
    11. EPA Substance Registry System: 2,2-Dimethylbutanoic acid methyl ester(813-67-2)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 813-67-2(Hazardous Substances Data)

813-67-2 Usage

Physical state

Colourless liquid

Odour

Fruity

Usage

Flavouring agent in food industry (fruit and confectionery products), fragrances, cosmetics, and other consumer products; solvent in various industrial processes

Health hazards

May cause irritation to the skin, eyes, and respiratory system if not used properly

Check Digit Verification of cas no

The CAS Registry Mumber 813-67-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,1 and 3 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 813-67:
(5*8)+(4*1)+(3*3)+(2*6)+(1*7)=72
72 % 10 = 2
So 813-67-2 is a valid CAS Registry Number.

813-67-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2,2-dimethylbutanoate

1.2 Other means of identification

Product number -
Other names 2,2-Dimethyl-buttersaeure-methylester

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:813-67-2 SDS

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