59240

Isoprene

analytical standard

• Synonym(s): 2-Methyl-1,3-butadiene
• Linear Formula: CH₂=CHC(CH₃)=CH₂
• CAS Number: 78-79-5
• Molecular Weight: 68.12
• Beilstein/REAXYS Number: 969158
• EC Number: 201-143-3
• MDL number: MFCD00008600
• UNSPSC Code: 41116107
• PubChem Substance ID: 329758612
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• vapor density: 2.35 (vs air)
• vapor pressure: 8.82 psi ( 20 °C)
• assay: ≥99.5% (GC)
• autoignition temp.: 428 °F
• shelf life: limited shelf life, expiry date on the label
• contains: ~0.02% 4-tert-butylcatechol as stabilizer
• expl. lim.: 10 %
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• refractive index: n20/D 1.422 (lit.); n20/D 1.422
• bp: 34 °C (lit.)
• mp: −146 °C (lit.)
• density: 0.681 g/mL at 20 °C; 0.681 g/mL at 25 °C (lit.)
• application(s): cleaning products; cosmetics; environmental; food and beverages; personal care; petroleum
• format: neat
• storage temp.: 2-8°C
• SMILES string: CC(=C)C=C
• InChI: 1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
• InChI key: RRHGJUQNOFWUDK-UHFFFAOYSA-N

Description

General description

Isoprene is a reactive aliphatic hydrocarbon that originates as a byproduct of cholesterol synthesis.

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

Application

Isoprene may be used as an analytical reference standard for the quantification of the analyte in human breath samples using substrate-integrated hollow waveguide mid-infrared sensors and thermal desorption gas chromatography with ultraviolet detection.

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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.

Safety Information

• pictograms: GHS02,GHS08
• signalword: Danger
• hcodes: H224,H341,H350,H412
• pcodes: P202 - P210 - P233 - P273 - P308 + P313 - P403 + P233
• Hazard Classifications: Aquatic Chronic 3 - Carc. 1B - Flam. Liq. 1 - Muta. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: -65.2 °F - closed cup
• flash_point_c: -54 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves