The Isovaleraldehyde, with the CAS registry number 590-86-3, is also known as Butanal, 3-methyl-. It belongs to the classification code of Skin / Eye Irritant. Its EINECS registry number is 209-691-5. This chemical's molecular formula is C₅H₁₀O and molecular weight is 86.13. What's more, both its IUPAC name and systematic name are the same which is called 3-Methylbutanal. It should be stored in a cool, dry and well-ventilated place.

Physical properties about Isovaleraldehyde are: (1)ACD/LogP: 1.267; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.41; (6)ACD/BCF (pH 7.4): 5.41; (7)ACD/KOC (pH 5.5): 116.49; (8)ACD/KOC (pH 7.4): 116.49; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.383; (14)Molar Refractivity: 25.359 cm³; (15)Molar Volume: 108.764 cm³; (16)Polarizability: 10.053×10^-24cm³; (17)Surface Tension: 22.675 dyne/cm; (18)Density: 0.792 g/cm³; (19)Flash Point: -1.667 °C; (20)Enthalpy of Vaporization: 33.327 kJ/mol; (21)Boiling Point: 93.515 °C at 760 mmHg; (22)Vapour Pressure: 49.317 mmHg at 25 °C.

Preparation of Isovaleraldehyde: this chemical can be prepared by 3-methyl-butyric acid. This reaction needs reagent zinc at temperature of 250 °C.

Uses of Isovaleraldehyde: (1) it is used as fruit type essence and intermediates; (2) it is used to produce other chemicals. For example, it can react with acetic acid anhydride to get acetic acid-(3-methyl-but-1-enyl ester). This reaction needs reagents K₂CO₃, KOAc at temperature of 130 °C. The reaction time is 2 hours. The yield is 60 %.

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 may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You must keep container tightly closed and keep away from sources of ignition. 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=CCC(C)C
(2) InChI: InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
(3) InChIKey: YGHRJJRRZDOVPD-UHFFFAOYSA-N

The toxicity data is as follows: