hexadec-1-ene

• ChemBase ID: 104831
• Molecular Formular: C16H32
• Molecular Mass: 224.42528
• Monoisotopic Mass: 224.25040102
• SMILES: CCCCCCCCCCCCCCC=C
• Canonical SMILES: CCCCCCCCCCCCCCC=C
• InChI: InChI=1S/C16H32/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3H,1,4-16H2,2H3
• InChIKey: GQEZCXVZFLOKMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadec-1-ene
• IUPAC Traditional name: 1-hexadecene
• Synonyms: CETENE; Cetene; 1-Hexadecene; 1-HEXADECENE; 鲸腊烯; 1-十六烯

Database IDs

• CAS Number: 629-73-2
• EC Number: 211-105-8
• MDL Number: MFCD00008991
• Beilstein Number: 1753401
• PubChem SID: 162093068; 24874120; 24867768; 24895152
• PubChem CID: 12395

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.2728367
• LogD (pH = 7.4): 7.2728367
• Log P: 7.2728367
• Molar Refractivity: 75.4623 cm^3
• Polarizability: 30.070013 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 3°C; 3-5 °C(lit.); 4°C
• Boiling Point: 273-274°C; 274 °C(lit.); 274°C
• Flash Point: 132 °C; 132°C(269°F); 269.6 °F
• Auto Ignition Point: 464 °F
• Density: 0.78 g/ml; 0.781; 0.781 g/mL at 20 °C; 0.783 g/mL at 25 °C(lit.)
• Refractive Index: 1.4420; n20/D 1.441; n20/D 1.441(lit.)
• Vapor Pressure: <0.2 mmHg ( 20 °C)
• Vapor Density: >0.8 (vs air)

Safety Information

• RTECS: MM0479000
• German water hazard class: 1
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥99%; ≥99%; ≥99.0% (GC); ≥99.8% (GC); 92%; 94%
• Grade: analytical standard; puriss.; technical grade
• Packaging: ampule of 1000 mg
• Impurities: ≤2.0% 2-butyl-1-dodecene; ≤2.0% 2-ethyl-1-tetradecene; ≤2.0% 2-hexyl-1-decene; ≤2.0% n-hexadecane
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)13CH=CH2

DETAILS

MP Biomedicals - 05212239

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157352

Purity: ≥99%
1 ml = approx. 0.78 g

Sigma Aldrich - H2131

包装
100 mL in glass bottle