94950

4-Vinyl-1-cyclohexene

analytical standard

• Synonym(s): 4-Ethenyl-1-cyclohexene, NSC 15760
• Linear Formula: C₆H₉CH=CH₂
• CAS Number: 100-40-3
• Molecular Weight: 108.18
• UNSPSC Code: 41116107
• NACRES: NA.24
• PubChem Substance ID: 329770400
• EC Number: 202-848-9
• Beilstein/REAXYS Number: 1901553
• MDL number: MFCD00001576

Properties

• grade: analytical standard
• Quality Segment: 100
• vapor density: 3.76 (vs air)
• vapor pressure: 10.2 mmHg ( 25 °C)
• assay: ≥99.5% (GC)
• autoignition temp.: 517 °F
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable, gas chromatography (GC): suitable
• refractive index: n20/D 1.463 (lit.), n20/D 1.464
• bp: 126-127 °C (lit.)
• mp: −101 °C (lit.)
• density: 0.831 g/mL at 20 °C, 0.832 g/mL at 25 °C (lit.)
• application(s): environmental; petroleum
• format: neat
• storage temp.: 2-8°C
• SMILES string: C=CC1CCC=CC1
• InChI: 1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2
• InChI key: BBDKZWKEPDTENS-UHFFFAOYSA-N

Description

General description

4-Vinyl-1-cyclohexene can be synthesized via cyclo-dimerization of butadiene in the presence of nitrosyl iron catalysts like [Fe(NO)₂(CO)₂] or [{FeCl(NO)₂}₂]/reductant.

Application

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

Other Notes

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,GHS07
• signalword: Danger
• hcodes: H225,H304,H315,H351,H361,H412
• pcodes: P202 - P210 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 2 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2
• Storage Class: 3 - Flammable liquids
• wgk: WGK 2
• flash_point_f: 60.8 °F - closed cup
• flash_point_c: 16 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter