110930

3-Methyl-1,2-butadiene

97%

• Synonym(s): 1,1-Dimethylallene
• Linear Formula: (CH₃)₂C=C=CH₂
• CAS Number: 598-25-4
• Molecular Weight: 68.12
• Beilstein/REAXYS Number: 1697090
• EC Number: 209-926-1
• MDL number: MFCD00008896
• UNSPSC Code: 12352100
• PubChem Substance ID: 24846867
• NACRES: NA.22

Properties

• vapor pressure: 6.87 psi ( 20 °C)
• assay: 97%
• refractive index: n20/D 1.419 (lit.)
• bp: 40-41 °C (lit.)
• mp: −148 °C (lit.)
• density: 0.694 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: CC(C)=C=C
• InChI: 1S/C5H8/c1-4-5(2)3/h1H2,2-3H3
• InChI key: PAKGDPSCXSUALC-UHFFFAOYSA-N

Description

Application

3-Methyl-1,2-butadiene (1,1-dimethylallene) has been used to study the photo-induced reaction of 1,1-dimethylallene with the cyanoarenes 1,2,4,5-tetracyanobenzene, 1,4-dicyanobenzene and 1,4-dicyanonaphthalene in the presence of methanol as nucleophile.

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H225,H304,H315,H319,H335
• pcodes: P210 - P233 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
• Hazard Classifications: Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 10.4 °F - closed cup
• flash_point_c: -12 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves