53706

Methyl butyrate

certified reference material, TraceCERT^®

• Linear Formula: CH₃CH₂CH₂COOCH₃
• CAS Number: 623-42-7
• Molecular Weight: 102.13
• Beilstein/REAXYS Number: 1740743
• EC Number: 210-792-1
• MDL number: MFCD00009391
• UNSPSC Code: 41116107
• PubChem Substance ID: 329757974
• NACRES: NA.24

Properties

• grade: certified reference material; TraceCERT^®
• Quality Level: 100
• vapor density: 3.5 (vs air)
• vapor pressure: 40 mmHg ( 30 °C)
• product line: TraceCERT^®
• shelf life: limited shelf life, expiry date on the label
• expl. lim.: 3.5 %
• technique(s): gas chromatography (GC): suitable
• refractive index: n20/D 1.385 (lit.)
• bp: 102-103 °C (lit.)
• density: 0.898 g/mL at 25 °C (lit.)
• application(s): food and beverages
• format: neat
• storage temp.: 2-8°C
• SMILES string: CCCC(=O)OC
• InChI: 1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
• InChI key: UUIQMZJEGPQKFD-UHFFFAOYSA-N

Description

General description

Methyl butyrate is a clear colourless liquid which is slightly soluble in water. It adds flavour and odour to fruits and flowers. It has a characteristic pineapple odour.

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.

Application

It was used as reference material in analysing FAME from different fat classes using proton transfer reaction mass spectrometry (PTR-MS).

Recommended products

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Legal Information

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

Safety Information

• pictograms: GHS02
• signalword: Danger
• hcodes: H225
• pcodes: P210 - P403 + P235
• Hazard Classifications: Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 57.2 °F - closed cup
• flash_point_c: 14.0 °C - closed cup