Octanoic acid
SIAL/07754 - certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
Synonym: Acid C8; Caprylic acid
CAS Number: 124-07-2
Empirical Formula (Hill Notation): C8H16O2
Molecular Weight: 144.21
EC Number: 204-677-5
MDL Number: MFCD00004429
Linear Formula: CH3(CH2)6COOH
Product Type: Chemical
| application(s) | food and beverages |
| bp | 237 °C (lit.) |
| density | 0.91 g/mL at 25 °C (lit.) |
| form | liquid |
| format | neat |
| functional group | carboxylic acid |
| grade | TraceCERT® |
| certified reference material | |
| InChI | 1S/C8H16O2/c1-2-3-4-5-6-7 |
| InChI key | WWZKQHOCKIZLMA-UHFFFAOYSA |
| manufacturer/tradename | Manufactured by: Sigma-Aldrich Production GmbH, Switzerland |
| mp | 15-17 °C (lit.) |
| product line | TraceCERT® |
| Quality Level | 300  |
| refractive index | n |
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CCCCCCCC(O)=O |
| storage temp. | 20-25°C |
| technique(s) | gas chromatography (GC): suitable |
| vapor density | 5 (vs air) |
| vapor pressure | 1 mmHg ( 78 °C) |
| 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. |
| General description: | 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 |
| Legal Information: | TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany |
| 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. |
| Symbol |  GHS05 |
| Signal word | Danger |
| Hazard statements | H314 - H412 |
| Precautionary statements | P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 |
| RIDADR | UN 3265 8 / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 230.0 °F - closed cup |
| Flash Point(C) | > 110 °C - closed cup |
| bp | 237 °C (lit.) |
| mp | 15-17 °C (lit.) |
| Density | 0.91 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 20-25°C |
| UNSPSC | 12352106 |