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2,5-diMethylheptanoic acid, with the molecular formula C9H18O2, is a carboxylic acid characterized by a seven-carbon hydrocarbon chain with two methyl groups attached to the second and fifth carbon atoms. This chemical compound is known for its pleasant aroma and taste, making it a valuable component in the production of fragrances and flavors.

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  • 15313-67-4 Structure
  • Basic information

    1. Product Name: 2,5-diMethylheptanoic acid
    2. Synonyms: 2,5-diMethylheptanoic acid
    3. CAS NO:15313-67-4
    4. Molecular Formula: C9H18O2
    5. Molecular Weight: 158.23802
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 15313-67-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 246.47°C (estimate)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 0.9113 (rough estimate)
    6. Refractive Index: 1.4159 (estimate)
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 4.82±0.23(Predicted)
    10. CAS DataBase Reference: 2,5-diMethylheptanoic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2,5-diMethylheptanoic acid(15313-67-4)
    12. EPA Substance Registry System: 2,5-diMethylheptanoic acid(15313-67-4)
  • 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: 15313-67-4(Hazardous Substances Data)

15313-67-4 Usage

Uses

Used in Fragrance and Flavor Industry:
2,5-diMethylheptanoic acid is used as a key ingredient for creating natural and synthetic fragrances and flavors due to its appealing scent and taste, enhancing the sensory experience of various consumer products.
Used in Organic Synthesis:
2,5-diMethylheptanoic acid serves as a versatile building block in the synthesis of a wide range of organic compounds, contributing to the development of new chemical entities with potential applications in various fields.
Used in Pharmaceutical Manufacturing:
As a precursor, 2,5-diMethylheptanoic acid plays a crucial role in the production of pharmaceuticals, aiding in the creation of new drugs and improving the efficacy and safety of existing medications.
Used in Agrochemical Production:
2,5-diMethylheptanoic acid is utilized in the manufacturing of agrochemicals, including pesticides and herbicides, to enhance crop protection and contribute to sustainable agriculture.
Used in Material Science:
2,5-diMethylheptanoic acid has potential applications in the development of innovative materials, such as polymers and coatings, due to its unique chemical properties and reactivity.
Used as a Reagent in Chemical Research and Analysis:
This chemical compound is employed as a reagent in various chemical research and analytical processes, facilitating the study of chemical reactions and the development of new methodologies in the field.

Check Digit Verification of cas no

The CAS Registry Mumber 15313-67-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,5,3,1 and 3 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 15313-67:
(7*1)+(6*5)+(5*3)+(4*1)+(3*3)+(2*6)+(1*7)=84
84 % 10 = 4
So 15313-67-4 is a valid CAS Registry Number.

15313-67-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,5-dimethylheptanoic acid

1.2 Other means of identification

Product number -
Other names -

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:15313-67-4 SDS

15313-67-4Downstream Products

15313-67-4Relevant articles and documents

Method for Producing Isononanoic Acid Esters, Starting from 2-Ethyl Hexanol

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Paragraph 0081-0087, (2015/06/17)

A Process for preparing carboxylic esters of a mixture of structurally branched C9 monocarboxylic acids proceeding from 2-ethylhexanol is characterized in that (a) 2-ethylhexanol is dehydrated to an octene mixture in the presence of a catalyst; (b) the octene mixture obtained in step a) is reacted in the presence of a transition metal compound of group VIII of the periodic table of the elements with carbon monoxide and hydrogen to give a mixture of isomeric isononanals; (c) the mixture of isomeric isononanals obtained in step b) is oxidized to a mixture of structurally branched C9 monocarboxylic acids; and (d) the mixture of structurally branched C9 monocarboxylic acids obtained in step c) is reacted with alcohols to give carboxylic esters.

Method for Producing Isononanoic Acids from 2-Ethyl Hexanol

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Paragraph 0062-0071, (2015/07/15)

Process for preparing isononanoic acid proceeding from 2-ethylhexanol, characterized in that (a) 2-ethylhexanol is dehydrated to octene in the presence of a catalyst; (b) the octene obtained in step a) is reacted in the presence of a transition metal compound of group VIII of the periodic table of the elements with carbon monoxide and hydrogen to give isononanal; and (c) the isononanal obtained in step b) is oxidized to isononanoic acid.

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