2-methylbut-2-ene

• ChemBase ID: 110526
• Molecular Formular: C5H10
• Molecular Mass: 70.1329
• Monoisotopic Mass: 70.07825032
• SMILES: CC=C(C)C
• Canonical SMILES: CC=C(C)C
• InChI: InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3
• InChIKey: BKOOMYPCSUNDGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylbut-2-ene
• IUPAC Traditional name: 2-methyl-2-butene
• Synonyms: 2-Methyl-2-butene solution; β-isoamylene; trimethylethylene; 2-methyl-2-butene; Isoamylene; 2-METHYL-2-BUTENE; Amylene; 2-Methyl-2-butene; 2-甲基-2-丁烯 溶液; β-异戊烯; 戊烯; 2-甲基-2-丁烯

Database IDs

• CAS Number: 513-35-9
• EC Number: 208-156-3
• MDL Number: MFCD00009276
• Beilstein Number: 1361353
• Merck Index: 14607
• PubChem SID: 24863234; 24858319; 24896827; 162095994; 24884479; 24888577
• PubChem CID: 10553
• Chemspider ID: 10113
• Unique Ingredient Identifier: HR68LQ4T3X
• Wikipedia Title: 2-Methyl-2-butene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1234403
• LogD (pH = 7.4): 2.1234403
• Log P: 2.1234403
• Molar Refractivity: 25.6048 cm^3
• Polarizability: 9.757488 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water; Miscible in alcohols, ether
• Apperance: Colorless liquid; Liquid
• Melting Point: -134 °C(lit.); -134°C; -134°C
• Boiling Point: 35-38 °C(lit.); 36-40°C; 39°C
• Flash Point: < -45 °C; -20 °C; -4 °F; -45°C(-49°F); -46 °C; -50 °F
• Density: 0.662; 0.662 g/cm^3; 0.662 g/mL at 25 °C(lit.); 0.835 g/mL at 25 °C
• Refractive Index: 1.385; 1.3870; n20/D 1.385(lit.); n20/D 1.387; n20/D 1.388
• Vapor Pressure: 14.34 psi ( 55 °C); 25.09 psi ( 55 °C); 25.7 psi ( 55 °C); 3.96 psi ( 20 °C); 7.66 psi ( 20 °C); 7.95 psi ( 20 °C)
• Vapor Density: 2.4 (vs air)

Safety Information

• European Hazard Symbols: Flammable (F); Nature polluting (N); X; Harmful (Xn)
• UN Number: 1993; 2460; UN2460
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-19-22-36/37/38; 11-22; 11-22-38-51/53-65-67-68; 11-22-51/53-65; R:10
• Safety Statements: 16-26-36/37/39; 36/37-45-61-62; 45; 9-16-29-33-61-62; R; S:9-16-29
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• Explode Limits: 8.7 %
• GHS Hazard statements: H225-H301-H304-H411-H401; H225-H302; H225-H302-H304-H315-H336-H341-H411
• GHS Precautionary statements: P210; P210-P241-P301+P310-P303+P361+P353-P405-P501A; P210-P261-P273-P281-P301 + P310-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1993 3/PG 2; UN 2460 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ~85% (GC); ≥95.0% (GC); ≥99%; ≥99.0% (GC); 90%; tech. 90%, remainder mainly 2-methyl-1-butene
• Concentration: 2.0 M in THF
• Grade: analytical standard; technical; technical grade
• Impurities: 2-methyl-2-butene
• Shelf Life: (limited shelf life, expiry date on the label)
• Purified By: redistillation
• Linear Formula: CH3CH=C(CH3)2

DETAILS

MP Biomedicals - 05215407

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 86262

Packaging
1 L in glass bottle
50, 250 mL in glass bottle

Sigma Aldrich - 304042

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 379263

Packaging
100, 800 mL in Sure-Pac™
Recommended products
Brass hose adapter Z146811 or brass body mini gas regulator Z513539 is recommended.

Sigma Aldrich - M32704

Packaging
100, 500 mL in Sure-Pac™