tridec-1-ene

• ChemBase ID: 104739
• Molecular Formular: C13H26
• Molecular Mass: 182.34554
• Monoisotopic Mass: 182.20345083
• SMILES: CCCCCCCCCCCC=C
• Canonical SMILES: CCCCCCCCCCCC=C
• InChI: InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3
• InChIKey: VQOXUMQBYILCKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridec-1-ene
• IUPAC Traditional name: 1-tridecene
• Synonyms: 1-Tridecene; 1-TRIDECENE; 1-十三烯

Database IDs

• CAS Number: 2437-56-1
• EC Number: 219-443-8
• MDL Number: MFCD00008976
• Beilstein Number: 1744660
• PubChem SID: 162091964; 24889496; 24871652; 24900313
• PubChem CID: 17095

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.939131
• LogD (pH = 7.4): 5.939131
• Log P: 5.939131
• Molar Refractivity: 61.6593 cm^3
• Polarizability: 24.529404 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -23 °C(lit.); -23°C
• Boiling Point: 232-233 °C(lit.); 232-233°C
• Flash Point: 197.6 °F; 79°C(174°F); 92 °C
• Density: 0.766; 0.766 g/mL at 25 °C(lit.); 0.77 g/ml
• Refractive Index: 1.4330; n20/D 1.432; n20/D 1.432(lit.)

Safety Information

• RTECS: YD4595000
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36; 65
• Safety Statements: 26-36; 62
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H304-H227; H319
• GHS Precautionary statements: P301+P330+P331-P315; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥99.5% (GC); 96%; 97%; 99%
• Grade: analytical standard
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH3(CH2)10CH=CH2

DETAILS

MP Biomedicals - 02157001

Purity: 99%
1 ml = approx. 0.77 g

Sigma Aldrich - T57703

Packaging
5 g in glass bottle

Sigma Aldrich - 479810

Packaging
25 mL in glass bottle