Reported in EPA TSCA Inventory.

The Cyclamen aldehyde, with the CAS registry number 103-95-7, is also known as 3-(4-Isopropylphenyl)-2-methylpropanal. It belongs to the product categories of Pharmaceutical Raw Materials; Alphabetical Listings; Flavors and Fragrances; M-N. Its EINECS registry number is 203-161-7. This chemical's molecular formula is C₁₃H₁₈O and molecular weight is 190.28. What's more, its IUPAC name is called 2-Methyl-3-(4-propan-2-ylphenyl)propanal.

Physical properties about Cyclamen aldehyde are: (1)ACD/LogP: 3.428; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 237.38; (6)ACD/BCF (pH 7.4): 237.38; (7)ACD/KOC (pH 5.5): 1745.62; (8)ACD/KOC (pH 7.4): 1745.62; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 59.398 cm³; (15)Molar Volume: 203.032 cm³; (16)Polarizability: 23.547×10^-24cm³; (17)Surface Tension: 32.49 dyne/cm; (18)Density: 0.937 g/cm³; (19)Flash Point: 116.675 °C; (20)Enthalpy of Vaporization: 50.406 kJ/mol; (21)Boiling Point: 266.102 °C at 760 mmHg; (22)Vapour Pressure: 0.0090 mmHg at 25 °C.

Preparation of Cyclamen aldehyde: this chemical can be prepared by 3t-(4-isopropyl-phenyl)-2-methyl-acrylaldehyde. This reaction needs reagent hydrogen, La(pta)₃ and solvent benzene at ambient temperature. The reaction catalyzer is Pd/C. The yield is 83 %.

Uses of Cyclamen aldehyde: (1) it is used as flavor and fragrance; (2) it is used to produce other chemicals. For example, it can react with bromo-difluoro-acetic acid ethyl ester to get 2,2-difluoro-3-hydroxy-5-(4-isopropyl-phenyl)-4-methyl-pentanoic acid ethyl ester. The reaction occurs with reagent Zn and solvent tetrahydrofuran. The yield is 77 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to 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=CC(Cc1ccc(cc1)C(C)C)C
(2) InChI: InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
(3) InChIKey: ZFNVDHOSLNRHNN-UHFFFAOYSA-N

The toxicity data is as follows: