2-methylpent-2-ene

• ChemBase ID: 108467
• Molecular Formular: C6H12
• Molecular Mass: 84.15948
• Monoisotopic Mass: 84.09390038
• SMILES: CCC=C(C)C
• Canonical SMILES: CCC=C(C)C
• InChI: InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3
• InChIKey: JMMZCWZIJXAGKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpent-2-ene
• IUPAC Traditional name: 2-methyl-2-pentene
• Synonyms: 2-METHYL-2-PENTENE; 2-Methyl-2-pentene; 2-甲基-2-戊烯

Database IDs

• CAS Number: 625-27-4
• EC Number: 210-883-6
• MDL Number: MFCD00009382
• Beilstein Number: 1731107
• PubChem SID: 162094312; 24885812; 24897108
• PubChem CID: 12243

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.568009
• LogD (pH = 7.4): 2.568009
• Log P: 2.568009
• Molar Refractivity: 30.2058 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

• Melting Point: -135 °C(lit.); -135°C
• Boiling Point: 67 °C(lit.); 67°C
• Flash Point: -16.6 °F; -27 °C
• Density: 0.69 g/mL at 25 °C(lit.); 0.690 g/ml
• Refractive Index: n20/D 1.400; n20/D 1.400(lit.)
• Vapor Pressure: 267 mmHg ( 100 °C)

Safety Information

• RTECS: SB2240000
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-65; R:11
• Safety Statements: 9-16-29-33-62; S:9-16-29
• GHS Pictograms: GHS02; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304
• GHS Precautionary statements: P210-P301 + P310-P331
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3295 3/PG 2

Product Information

• Purity: ≥98.0% (GC); 98%
• Grade: purum
• Linear Formula: CH3CH2CH=C(CH3)2

DETAILS

MP Biomedicals - 05207467

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M67303

Packaging
5, 25 g in ampule