2,4-dimethylpent-1-ene

• ChemBase ID: 112334
• Molecular Formular: C7H14
• Molecular Mass: 98.18606
• Monoisotopic Mass: 98.10955045
• SMILES: CC(C)CC(=C)C
• Canonical SMILES: CC(CC(=C)C)C
• InChI: InChI=1S/C7H14/c1-6(2)5-7(3)4/h7H,1,5H2,2-4H3
• InChIKey: LXQPBCHJNIOMQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylpent-1-ene
• IUPAC Traditional name: 2,4-dimethyl-1-pentene
• Synonyms: 2,4-DIMETHYL-1-PENTENE; 2,4-Dimethyl-1-pentene; 2,4-二甲基-1-戊烯

Database IDs

• CAS Number: 2213-32-3
• EC Number: 218-665-2
• MDL Number: MFCD00039854
• PubChem SID: 162097525
• PubChem CID: 16657

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9129617
• LogD (pH = 7.4): 2.9129617
• Log P: 2.9129617
• Molar Refractivity: 33.6819 cm^3
• Polarizability: 13.44952 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 81°C
• Flash Point: -16°C(-27°F)
• Density: 0.69
• Refractive Index: 1.3995

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN3295
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-36/37/38
• Safety Statements: 9-16-23-26-33-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05223533

MP Biomedicals Rare Chemical collection