2-methylundec-1-ene

• ChemBase ID: 73735
• Molecular Formular: C12H24
• Molecular Mass: 168.31896
• Monoisotopic Mass: 168.18780077
• SMILES: C=C(CCCCCCCCC)C
• Canonical SMILES: CCCCCCCCCC(=C)C
• InChI: InChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h2,4-11H2,1,3H3
• InChIKey: SJVKHZYVCVKEGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylundec-1-ene
• IUPAC Traditional name: 2-methylundec-1-ene
• Synonyms: 2-Methylundec-1-ene; 2-Methyl-1-undecene; 2-METHYL-1-UNDECENE; 2-甲基-1-十一烯

Database IDs

• CAS Number: 18516-37-5
• EC Number: 242-394-9
• MDL Number: MFCD00009585
• Beilstein Number: 1739514
• PubChem SID: 162038654; 24846541
• PubChem CID: 87689

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2933545
• LogD (pH = 7.4): 5.2933545
• Log P: 5.2933545
• Molar Refractivity: 56.7393 cm^3
• Polarizability: 22.682592 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 161.6 °F; 72 °C
• Density: 0.757 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.432(lit.)

Safety Information

• Storage Warning: Flammable
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 97%
• Linear Formula: CH3(CH2)8C(CH3)=CH2

DETAILS

MP Biomedicals - 05210669

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 101370

Packaging
2 g in glass bottle