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Key Documents

07754

Supelco

Octanoic acid

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

Synonym(s):

Acid C8, Caprylic acid

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About This Item

Linear Formula:
CH3(CH2)6COOH
CAS Number:
Molecular Weight:
144.21
Beilstein:
1747180
EC Number:
MDL number:
UNSPSC Code:
12352106
PubChem Substance ID:
NACRES:
NA.24

grade

certified reference material
TraceCERT®

Quality Level

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

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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: TWCCSN2 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

Pictograms

Corrosion

Signal Word

Danger

Hazard Statements

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


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