3-Undecanol supplier | CasNO.6929-08-4

Name
3-Undecanol
EINECS 230-054-2
CAS No. 6929-08-4
Article Data18
CAS DataBase
Density 0.828 g/cm³
Solubility
Melting Point 11.58°C (estimate)
Formula C₁₁H₂₄O
Boiling Point 229.7 °C at 760 mmHg
Molecular Weight 172.311
Flash Point 94 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Undecan-3-ol;Undecanol-3;Ethyl n-octyl carbinol;3-Hendecanol;
PSA 20.23000
LogP 3.50790

3-Undecanol Specification

The 3-Undecanol, with the CAS registry number 6929-08-4, is also known as Ethyl n-octyl carbinol. This chemical's molecular formula is C₁₁H₂₄O and formula weight is 172.31. What's more, its IUPAC name is undecan-3-ol.

Physical properties of 3-Undecanol are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/BCF (pH 5.5): 1324.75; (5)ACD/KOC (pH 5.5): 5976.16; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 9; (9)Polar Surface Area: 9.23 Å²; (10)Index of Refraction: 1.437; (11)Molar Refractivity: 54.5 cm³; (12)Molar Volume: 207.9 cm³; (13)Surface Tension: 29.2 dyne/cm; (14)Density: 0.828 g/cm³; (15)Flash Point: 94 °C; (16)Enthalpy of Vaporization: 54.21 kJ/mol; (17)Boiling Point: 229.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0132 mmHg at 25°C.

Uses of 3-Undecanol: it can be used to produce undecan-3-one at the temperature of 100°C. It will need reagent 2,6-dimethoxy-1,4-benzoquinone, bis(salicylideniminato-3-propyl)methylamino-cobalt(III), air and solvent toluene with the reaction time of 1 hour, with the catalyst [C₅Ph₄O(Ru(CO)₂)]₂H₂. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC(CC)O
(2)InChI: InChI=1S/C11H24O/c1-3-5-6-7-8-9-10-11(12)4-2/h11-12H,3-10H2,1-2H3
(3)InChIKey: HCARCYFXWDRVBZ-UHFFFAOYSA-N

Product Name

3-Undecanol

3-Undecanol Specification

Related Products

Hot Products