undec-10-en-1-ol

• ChemBase ID: 78367
• Molecular Formular: C11H22O
• Molecular Mass: 170.29178
• Monoisotopic Mass: 170.16706532
• SMILES: OCCCCCCCCCC=C
• Canonical SMILES: OCCCCCCCCCC=C
• InChI: InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,12H,1,3-11H2
• InChIKey: GIEMHYCMBGELGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undec-10-en-1-ol
• IUPAC Traditional name: 10-undecen-1-ol
• Synonyms: Undecylenyl alcohol; 10-Undecen-1-ol; 10-Undecen-1-ol 99%; omega-Undecylenyl alcohol; 十一烯醇; 10-十一烯-1-醇

Database IDs

• CAS Number: 112-43-6
• EC Number: 203-971-0
• MDL Number: MFCD00004750
• Beilstein Number: 1753225
• PubChem SID: 162043136; 24900630
• PubChem CID: 8185
• Flavis Number: 2.125

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6133146
• LogD (pH = 7.4): 3.6133146
• Log P: 3.6133146
• Molar Refractivity: 54.386 cm^3
• Polarizability: 21.394817 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -3°C; -3°C
• Boiling Point: 132-133 °C/15 mmHg(lit.); 132-133°C/15mm; 132-133°C/15mm; 245-248 °C(lit.)
• Flash Point: 125 °C; 257 °F; 93°C; 93°C(199°F)
• Density: 0.848; 0.85 g/mL at 25 °C(lit.)
• Refractive Index: 1.4500; n20/D 1.448-1.453; n20/D 1.45(lit.); n20/D 1.451
• Transition Temperature: solidification point -2 °C(lit.)
• Organoleptic: lemon; fatty

Safety Information

• Storage Warning: Irritant
• RTECS: YQ2985000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥95.0% (GC); ≥97%; 98%; 99%
• Grade: purum
• Linear Formula: CH2=CH(CH2)9OH

DETAILS

Sigma Aldrich - W511218

Features and Benefits
Fatty, lemon

Sigma Aldrich - U2008

Packaging
25, 100 g in glass bottle

REFERENCES

• Useful building block, for example for long-chain ω-unsaturated acids: J. Org. Chem., 54, 1948 (1989).