Isovaleraldehyde Chemical Properties

Melting point:

-60 °C

Boiling point:

90 °C (lit.)

Density 

0.803 g/mL at 25 °C (lit.)

vapor density 

2.96 (vs air)

vapor pressure 

30 mm Hg ( 20 °C)

refractive index 

n20/D 1.388(lit.)

FEMA 

2692 | 3-METHYLBUTYRALDEHYDE

Flash point:

29 °F

storage temp. 

2-8°C

solubility 

alcohol: miscible

form 

Liquid

color 

Clear colorless to light yellow

Odor

at 0.10 % in dipropylene glycol. ethereal aldehydic chocolate peach fatty

Odor Type

aldehydic

Odor Threshold

0.0001ppm

explosive limit

1.7-6.8%(V)

Water Solubility 

15 g/L (20 ºC)

JECFA Number

258

Merck 

14,5229

BRN 

773692

Stability:

Stable, but light and air sensitive. Highly flammable. Readily forms explosive mixtures with air. Incompatible with strong oxidizing agents, bases, reducing agents, air.

InChIKey

YGHRJJRRZDOVPD-UHFFFAOYSA-N

LogP

1.5 at 25℃ and pH7

CAS DataBase Reference

590-86-3(CAS DataBase Reference)

NIST Chemistry Reference

Butanal, 3-methyl-(590-86-3)

EPA Substance Registry System

Isovaleraldehyde (590-86-3)

Safety Information

Hazard Codes 

F,Xi

Risk Statements 

11-36-36/37/38-43-36/37

Safety Statements 

7-16-26-36-37/39-37-24-9

RIDADR 

UN 1989 3/PG 2

WGK Germany 

1

RTECS 

ES3450000

F 

13

Autoignition Temperature

464 °F

TSCA 

Yes

HazardClass 

3

PackingGroup 

II

HS Code 

29121900

Hazardous Substances Data

590-86-3(Hazardous Substances Data)

MSDS

• Language:English Provider:Isovaleraldehyde
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

Isovaleraldehyde Usage And Synthesis

Chemical Properties

3-Methylbutyraldehyde has a choking, powerful, acrid, pungent, apple-like odor. This compound is also reported to have a fruity, fatty, animal, almond odor.

Chemical Properties

Isovaleraldehyde is a colorless, low-solubility liquid with a pungent odor similar to that of apples.

Occurrence

Reported found in over 180 natural sources including apple, banana, berries, grapes, peach, papaya, peach, kohlrabi, carrot, celery, leek, peas, potato, bell pepper, tomato, ginger, peppermint and spearmint oil, other Mentha oils, vinegar, breads, many cheeses, butter, milk, egg, fatty and lean fish, meats, hop oil, beer, cognac, sherry, rum, grape wines, cocoa, coffee, tea, filberts, peanuts, pecans, peanut butter, barley, oats, soybean, honey, avocado, mace, plum, beans, mushrooms, starfruit, mango, beetroot, cardamom, coriander seed, rice, lovage leaf, pumpkin, buckwheat, laurel, malt, clary sage, wort, elderberry, clam, scallops, crab, crayfish, okra, sapodilla, truffles, kiwifruit and other sources.

Uses

Isovaleraldehyde is manufactured by oxidizing isoamyl alcohol with sodium perchromate and sulfuric acid. Isovaleraldehyde is present in essential oils of orange, peppermint, lemon, and other plants and fruits. Its main uses are as an artificial flavor additive and in perfumes.

Uses

Isovaleraldehyde acts as a reagent in the preparation of active pharmaceutical ingredient (API) products. It serves as an internal standard for the determination of wine aroma carbonyl compounds with 5-8 carbon atoms. Further, it is utilized as a standard to evaluate the quality of olive oils by headspace solid-phase microextraction-gas chromatography using flame ionization detection and multivariate analysis. In addition to this, it is employed to enhance the taste and odor of the food.

Uses

In artificial flavors and perfumes.

Definition

ChEBI: 3-methylbutanal is a methylbutanal that is butanal substituted by a methyl group at position 3. It occurs as a volatile constituent in olives. It has a role as a flavouring agent, a plant metabolite, a volatile oil component and a Saccharomyces cerevisiae metabolite.

Preparation

By oxidation of isoamyl alcohol.

General Description

Colorless liquid with a weak suffocating odor. Floats on water. Produces an irritating vapor. It is a metabolite found in or produced by Saccharomyces cerevisiae.

Air & Water Reactions

Highly flammable.

Reactivity Profile

Isovaleraldehyde is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.

Health Hazard

Inhalation causes chest discomfort, nausea, vomiting, and headache. Contact of liquid with eyes or skin causes irritation. Ingestion causes irritation of mouth and stomach.

Isovaleraldehyde(590-86-3)Related Product Information

• Sodium carboxymethyl cellulose
• Methyl methacrylate
• Methacrylic acid
• N,N-Dimethylformamide
• Valeraldehyde
• Methyl cellulose
• POLY(VINYL BUTYRAL)
• Dimethyl sulfoxide
• Isovaleryl chloride
• ISOVALERIC ANHYDRIDE
• 2-Methylbutane
• 3-Methyl-2-buten-1-ol
• 3-Methyl-1-butanethiol
• Isovaleric acid
• Ethyl isovalerate
• 2-Hexenamide, 2-cyano-5-methyl-
• Hexanoic acid,3-(aminomethyl)-5-methyl-, (3R)-
• 2,4-Dicyano-3-(2-Methylpropyl)-pentanediaMide