3-Decanol

The 3-Decanol, with the CAS registry number 1565-81-7, is also known as Heptyl ethyl carbinol. This chemical's molecular formula is C₁₀H₂₂O and molecular weight is 158.28108. Its IUPAC name is called decan-3-ol. What's more, this chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties of 3-Decanol: (1)ACD/LogP: 3.88; (2)ACD/LogD (pH 5.5): 3.88; (3)ACD/LogD (pH 7.4): 3.88; (4)ACD/BCF (pH 5.5): 522.77; (5)ACD/BCF (pH 7.4): 522.77; (6)ACD/KOC (pH 5.5): 3071.62; (7)ACD/KOC (pH 7.4): 3071.62; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.434; (12)Molar Refractivity: 49.87 cm³; (13)Molar Volume: 191.4 cm³; (14)Surface Tension: 28.9 dyne/cm; (15)Density: 0.826 g/cm³; (16)Flash Point: 87.1 °C; (17)Enthalpy of Vaporization: 52.3 kJ/mol; (18)Boiling Point: 213.4 °C at 760 mmHg; (19)Vapour Pressure: 0.0365 mmHg at 25°C.

Preparation of 3-Decanol: this chemical can be prepared by octanal and tetraethylplumbane. This reaction will need reagent TiCl₄ and solvent CH₂Cl₂. The reaction temperature is -78 - -30 °C. The yield is about 94%.

Uses of 3-Decanol: it can be used to produce decan-3-one. This reaction will need reagents sodium dichromate and aqueous sulfuric acid.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCC(CC)O
(2)InChI: InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3
(3)InChIKey: ICEQLCZWZXUUIJ-UHFFFAOYSA-N