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

• ChemBase ID: 110391
• Molecular Formular: C12H24O
• Molecular Mass: 184.31836
• Monoisotopic Mass: 184.18271539
• SMILES: CCCCCCCCC/C=C/CO
• Canonical SMILES: CCCCCCCCC/C=C/CO
• InChI: InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-11,13H,2-9,12H2,1H3
• InChIKey: MLRYPOCSLBIUHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-dodec-2-en-1-ol; dodec-2-en-1-ol
• IUPAC Traditional name: (2E)-dodec-2-en-1-ol; dodec-2-en-1-ol
• Synonyms: trans-2-Dodecen-1-ol; 2-DODECEN-1-OL; 反-2-十二烯-1-醇

Database IDs

• CAS Number: 22104-81-0; 69064-37-5
• MDL Number: MFCD00014047
• Beilstein Number: 1758331
• PubChem SID: 162095951; 24845066
• PubChem CID: 5352845

CALCULATED PROPERTIES

• Acid pKa: 16.081474
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.155857
• LogD (pH = 7.4): 4.155857
• Log P: 4.155857
• Molar Refractivity: 59.9055 cm^3
• Polarizability: 23.241335 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 100 °C; 212 °F
• Density: 0.846 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.453

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: ≥95.0% (GC)
• Grade: analytical standard
• Empirical Formula (Hill Notation): C12H24O

DETAILS

MP Biomedicals - 05214830

MP Biomedicals Rare Chemical collection