41472-84-8

The IUPAC name of this chemical is 2-Hydroxyhexanal. With the CAS registry number 41472-84-8, it is also named as Hexanal, 2-hydroxy-. In addition, the molecular formula is C₆H₁₂O₂ and the molecular weight is 116.158. It is soluble in ethanol, ethyl ether, benzene and acetic acid. And it can be prepared by methanol or ethanol. What's more, it should be stored in a airtight, cool and dry place.

Physical properties about 2-Hydroxyhexanal are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.33; (6)ACD/BCF (pH 7.4): 3.33; (7)ACD/KOC (pH 5.5): 82.26; (8)ACD/KOC (pH 7.4): 82.26; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 31.52 cm³; (15)Molar Volume: 122.7 cm³; (16)Polarizability: 12.49 ×10^-24cm³; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 0.946 g/cm³; (19)Flash Point: 61.9 °C; (20)Enthalpy of Vaporization: 47.14 kJ/mol; (21)Boiling Point: 168.4 °C at 760 mmHg; (22)Vapour Pressure: 0.53 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(O)CCCC
(2)InChI: InChI=1/C6H12O2/c1-2-3-4-6(8)5-7/h5-6,8H,2-4H2,1H3
(3)InChIKey: BRZMRZVKWQWYPJ-UHFFFAOYAX

The toxicity data is as follows: