Hexyl salicylate

The Hexyl salicylate, with the CAS registry number 6259-76-3, is also known as n-Hexyl 2-hydroxybenzoate. Its EINECS registry number is 228-408-6. This chemical's molecular formula is C₁₃H₁₈O₃ and molecular weight is 222.28. What's more, its IUPAC name is called Hexyl 2-hydroxybenzoate. It should be stored in a cool, dry and well-ventilated place. This chemical can be prepared by salicylic acid with hexyl alcohol via esterification. This reaction needs reagent sulfuric acid. It can be used as modifier, coordination agent and fixative.

Physical properties about Hexyl salicylate are: (1)ACD/LogP: 5.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.07; (4)ACD/LogD (pH 7.4): 5.00; (5)ACD/BCF (pH 5.5): 4193.89; (6)ACD/BCF (pH 7.4): 3594.89; (7)ACD/KOC (pH 5.5): 13627.00; (8)ACD/KOC (pH 7.4): 11680.69; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 63.072 cm³; (15)Molar Volume: 208.29 cm³; (16)Polarizability: 25.004×10^-24cm³; (17)Surface Tension: 40.688 dyne/cm; (18)Density: 1.067 g/cm³; (19)Flash Point: 119.273 °C; (20)Enthalpy of Vaporization: 56.637 kJ/mol; (21)Boiling Point: 304.265 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCC)c1ccccc1O
(2) InChI: InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3
(3) InChIKey: DUKPKQFHJQGTGU-UHFFFAOYSA-N

The toxicity data is as follows: