tetradeca-1,13-diene

• ChemBase ID: 151477
• Molecular Formular: C14H26
• Molecular Mass: 194.35624
• Monoisotopic Mass: 194.20345083
• SMILES: C=CCCCCCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCCCCC=C
• InChI: InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4H,1-2,5-14H2
• InChIKey: XMRSTLBCBDIKFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetradeca-1,13-diene
• IUPAC Traditional name: tetradeca-1,13-diene
• Synonyms: 1,13-Tetradecadiene; (1,13-十四烷二)烯

Database IDs

• CAS Number: 21964-49-8
• EC Number: 244-687-7
• MDL Number: MFCD00014941
• Beilstein Number: 1741459
• PubChem SID: 162245630; 24860161
• PubChem CID: 30875

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0797114
• LogD (pH = 7.4): 6.0797114
• Log P: 6.0797114
• Molar Refractivity: 66.3044 cm^3
• Polarizability: 26.149014 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 131 °C/17 mmHg(lit.)
• Flash Point: 103 °C; 217 °F; 217.4 °F
• Density: 0.849 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.443; n20/D 1.443(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-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: ≥99.0% (GC); 90%
• Grade: puriss.
• Linear Formula: CH2=CH(CH2)10CH=CH2

DETAILS

Sigma Aldrich - 333646

Packaging
1, 5 g in glass bottle