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

• ChemBase ID: 136032
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: CCCCCCC/C=C/CO
• Canonical SMILES: CCCCCCC/C=C/CO
• InChI: InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,2-7,10H2,1H3/b9-8+
• InChIKey: QOPYYRPCXHTOQZ-CMDGGOBGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-dec-2-en-1-ol
• IUPAC Traditional name: (2E)-dec-2-en-1-ol
• Synonyms: trans-2-Decen-1-ol; 反式-2-癸烯醇

Database IDs

• CAS Number: 18409-18-2
• EC Number: 242-289-8
• MDL Number: MFCD00014059
• PubChem SID: 162230303
• PubChem CID: 5364942
• FEMA ID: 4304

CALCULATED PROPERTIES

• Acid pKa: 16.081474
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2667198
• LogD (pH = 7.4): 3.2667198
• Log P: 3.2667198
• Molar Refractivity: 50.7035 cm^3
• Polarizability: 19.548393 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 231-232 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.844 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.451(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)6CH=CHCH2OH