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59669-16-8

OCTANOIC 1-13C ACID, also known as Octanoic acid-13C, is a medium-chain saturated fatty acid that is labeled with the stable isotope carbon-13. It is commonly used as an internal standard for the quantification of octanoic acid by gas chromatography (GC) or liquid chromatography-mass spectrometry (LC-MS). OCTANOIC 1-13C ACID has been identified in Teleme cheeses made from goat, ovine, or bovine milk and exhibits activity against various bacteria, such as S. mutans, S. gordonii, F. nucleatum, and P. gingivalis. Additionally, OCTANOIC 1-13C ACID levels are increased in the plasma of patients with medium-chain acyl-CoA dehydrogenase (MCAD) deficiency, an inborn error of fatty acid metabolism characterized by hypoketotic hypoglycemia, medium-chain dicarboxylic aciduria, and intolerance to fasting. OCTANOIC 1-13C ACID is in a liquid state.

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  • 59669-16-8 Structure

  • Basic information

    1. Product Name: OCTANOIC 1-13C ACID
    2. Synonyms: OCTANOIC ACID (1-13C);OCTANOIC 1-13C ACID;OctanoicacidCatomC;OCTANOIC-1-13C ACID, 99 ATOM % 13C;Octanoic acid-1-13C, 99 atom % 13C;caprylic acid-1-13c;Caprylic acid-1-13C, Octanoic acid-1-13C;Octanoic acid-1-13C Extra
    3. CAS NO:59669-16-8
    4. Molecular Formula: C8H16O2
    5. Molecular Weight: 145.22
    6. EINECS: N/A
    7. Product Categories: Fatty Acids 13C & 2H
    8. Mol File: 59669-16-8.mol

  • Chemical Properties

    1. Melting Point: 16 °C(lit.)
    2. Boiling Point: 237 °C(lit.)
    3. Flash Point: >230 °F
    4. Appearance: /
    5. Density: 0.910 g/mL at 25 °C
    6. Refractive Index: n20/D 1.4284(lit.)
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: OCTANOIC 1-13C ACID(CAS DataBase Reference)
    10. NIST Chemistry Reference: OCTANOIC 1-13C ACID(59669-16-8)
    11. EPA Substance Registry System: OCTANOIC 1-13C ACID(59669-16-8)

  • Safety Data

    1. Hazard Codes: C
    2. Statements: 34
    3. Safety Statements: 26-27-36/37/39-45-36/39
    4. RIDADR: UN 3265 8/PG 3
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 59669-16-8(Hazardous Substances Data)

59669-16-8 Usage

Uses

1. Used in Synthesis of 13C Labeled Cholesterin Carboxylates:
OCTANOIC 1-13C ACID is used as a precursor for the synthesis of 13C labeled cholesterol carboxylates, which are essential for various research applications and understanding the metabolic pathways of cholesterol.
2. Used in Analytical Chemistry as an Internal Standard:
OCTANOIC 1-13C ACID is used as an internal standard for the quantification of octanoic acid in various samples, such as food products and biological samples, by employing GC or LC-MS techniques. This application aids in enhancing the accuracy and precision of the analytical results.
3. Used in Research on MCAD Deficiency:
OCTANOIC 1-13C ACID is utilized in research studies to investigate the role of octanoic acid in patients with medium-chain acyl-CoA dehydrogenase (MCAD) deficiency. This helps in understanding the underlying mechanisms of the disease and developing potential therapeutic strategies.
4. Used in Antimicrobial Research:
OCTANOIC 1-13C ACID is employed in antimicrobial research to study its activity against various bacteria, such as S. mutans, S. gordonii, F. nucleatum, and P. gingivalis. This information can be valuable for developing new antimicrobial agents and understanding the mode of action of OCTANOIC 1-13C ACID against these bacteria.
5. Used in Food Industry:
In the food industry, OCTANOIC 1-13C ACID can be used as a reference compound for the analysis of octanoic acid content in various cheese products, such as Teleme cheeses made from goat, ovine, or bovine milk. This helps in ensuring the quality and safety of the final product.

Check Digit Verification of cas no

The CAS Registry Mumber 59669-16-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,9,6,6 and 9 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 59669-16:
(7*5)+(6*9)+(5*6)+(4*6)+(3*9)+(2*1)+(1*6)=178
178 % 10 = 8
So 59669-16-8 is a valid CAS Registry Number.

59669-16-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name Octanoic-1-13C acid

1.2 Other means of identification

Product number -
Other names Octanoic acid-1-13C Extra

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:59669-16-8 SDS

59669-16-8Relevant articles and documents

Catalytic Decarboxylation/Carboxylation Platform for Accessing Isotopically Labeled Carboxylic Acids

Tortajada, Andreu,Duan, Yaya,Sahoo, Basudev,Cong, Fei,Toupalas, Georgios,Sallustrau, Antoine,Loreau, Olivier,Audisio, Davide,Martin, Ruben

, p. 5897 - 5901 (2019/06/17)

An integrated catalytic decarboxylation/carboxylation for accessing isotopically labeled carboxylic acids with13CO2 or14CO2 is described. The method shows a wide scope under mild conditions, even in the context of late-stage functionalization, and does not require stoichiometric organometallics, thus complementing existing carbon-labeling techniques en route to carboxylic acids.

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