(2E)-4-methylpent-2-ene

• ChemBase ID: 110746
• Molecular Formular: C6H12
• Molecular Mass: 84.15948
• Monoisotopic Mass: 84.09390038
• SMILES: C/C=C/C(C)C
• Canonical SMILES: C/C=C/C(C)C
• InChI: InChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3
• InChIKey: LGAQJENWWYGFSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-4-methylpent-2-ene; 4-methylpent-2-ene
• IUPAC Traditional name: trans-4-methyl-2-pentene; 4-methyl-2-pentene
• Synonyms: trans-4-Methyl-2-pentene; trans-4-METHYL-2-PENTENE; 反式-4-甲基-2-戊烯

Database IDs

• CAS Number: 674-76-0; 4461-48-7
• EC Number: 211-616-6
• MDL Number: MFCD00065138
• Beilstein Number: 1719115
• PubChem SID: 24885837; 162095907
• PubChem CID: 172092

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6116667
• LogD (pH = 7.4): 2.6116667
• Log P: 2.6116667
• Molar Refractivity: 30.4724 cm^3
• Polarizability: 11.603333 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -16.6 °F; -27 °C
• Density: 0.686 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.392

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38-65
• Safety Statements: 16-26-36-62
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H319-H335
• GHS Precautionary statements: P210-P261-P301 + P310-P305 + P351 + P338-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 3295 3/PG 2

Product Information

• Purity: ≥90% (GC)
• Grade: technical
• Empirical Formula (Hill Notation): C6H12

DETAILS

MP Biomedicals - 05216170

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 68522

Packaging
10 mL in glass bottle