(2E)-tridec-2-en-1-ol

• ChemBase ID: 138458
• Molecular Formular: C13H26O
• Molecular Mass: 198.34494
• Monoisotopic Mass: 198.19836545
• SMILES: CCCCCCCCCC/C=C/CO
• Canonical SMILES: CCCCCCCCCC/C=C/CO
• InChI: InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12,14H,2-10,13H2,1H3/b12-11+
• InChIKey: VPYJHNADOJDSGU-VAWYXSNFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-tridec-2-en-1-ol
• IUPAC Traditional name: (2E)-tridec-2-en-1-ol
• Synonyms: trans-2-Tridecen-1-ol; 反式-2-十三烯-1-醇

Database IDs

• CAS Number: 68480-25-1
• EC Number: 270-902-9
• MDL Number: MFCD00014048
• PubChem SID: 162232714; 24878756
• PubChem CID: 5364949

CALCULATED PROPERTIES

• Acid pKa: 16.081474
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.6004257
• LogD (pH = 7.4): 4.6004257
• Log P: 4.6004257
• Molar Refractivity: 64.5065 cm^3
• Polarizability: 25.087929 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 282-283 °C(lit.)
• Density: 0.853 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.455(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: 97%
• Linear Formula: CH3(CH2)9CH=CHCH2OH