Decanal

This chemical has the systematic name Decanal. With the CAS registry number 112-31-2, its classification codes are Mutation data; Natural Product; Skin / Eye Irritant. It's an organic compound with the chemical formula C₉H₁₉CHO. It belongs to the product category Pharmaceutical Intermediates. However, it should be sealed in the cool and dry place, away from the oxides.

Other characteristics of the Decanal can be summarised as followings: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.09; (4)ACD/LogD (pH 7.4): 4.09; (5)ACD/BCF (pH 5.5): 761.52; (6)ACD/BCF (pH 7.4): 761.52; (7)ACD/KOC (pH 5.5): 4020.77; (8)ACD/KOC (pH 7.4): 4020.77; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 48.56 cm³; (15)Molar Volume: 190.9 cm³; (16)Polarizability: 19.25×10^-24cm³; (17)Surface Tension: 27.9 dyne/cm; (18)Density: 0.818 g/cm³; (19)Flash Point: 85.6 °C; (20)Enthalpy of Vaporization: 44.53 kJ/mol; (21)Boiling Point: 209 °C at 760 mmHg; (22)Vapour Pressure: 0.207 mmHg at 25°C.

Production method of the Decanal: It could be prepared by oxidation of the related alcohol decanol.

Uses of the Decanal: It is used in fragrances and flavoring and it is an important component in citrus along with octanal, citral, and sinensal. Decanal is also an important component of buckwheat odour.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=CCCCCCCCCC
2.InChI: InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
3.InChIKey: KSMVZQYAVGTKIV-UHFFFAOYAQ

The toxicity data is as follows: