07754

Octanoic acid

certified reference material, TraceCERT^®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

• Synonym(s): Acid C₈, Caprylic acid
• Linear Formula: CH₃(CH₂)₆COOH
• CAS Number: 124-07-2
• Molecular Weight: 144.21
• Beilstein: 1747180
• EC Number: 204-677-5
• MDL number: MFCD00004429
• UNSPSC Code: 12352106
• PubChem Substance ID: 329748514
• NACRES: NA.24

Properties

• grade: certified reference material; TraceCERT^®
• Quality Level: 300
• vapor density: 5 (vs air)
• vapor pressure: 1 mmHg ( 78 °C)
• product line: TraceCERT^®
• form: liquid
• shelf life: limited shelf life, expiry date on the label
• manufacturer/tradename: Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
• technique(s): gas chromatography (GC): suitable
• refractive index: n20/D 1.428 (lit.)
• bp: 237 °C (lit.)
• mp: 15-17 °C (lit.)
• density: 0.91 g/mL at 25 °C (lit.)
• application(s): food and beverages
• format: neat
• functional group: carboxylic acid
• storage temp.: 20-25°C
• SMILES string: CCCCCCCC(O)=O
• InChI: 1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
• InChI key: WWZKQHOCKIZLMA-UHFFFAOYSA-N

Description

General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com

This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here

Other Notes

Ion Mobility: ^TWCCS_N2 value of 140.3 Å2 [M-H]^-

The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com.
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.

^TWCCS measurements are expected to be within 2% of this reference value.

P/N 07754 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

Legal Information

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: GHS05
• Signal Word: Danger
• Hazard Statements: H314,H412
• Precautionary Statements: P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363
• Hazard Classifications: Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1C
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 1
• Flash Point(F): >230.0 °F - closed cup
• Flash Point(C): > 110 °C - closed cup