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HomeProduct name listIsovaleraldehyde

Isovaleraldehyde

Synonym(s):3-Methylbutanal;3-Methylbutyraldehyde;NSC 404119

  • CAS NO.:590-86-3
  • Empirical Formula: C5H10O
  • Molecular Weight: 86.13
  • MDL number: MFCD00007014
  • EINECS: 209-691-5
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-25 16:21:11
Isovaleraldehyde Structural

What is Isovaleraldehyde?

Description

Isovaleraldehyde, formally 3-methylbutanal, is a pungent liquid that occurs in natural oils such as orange, lemon, peppermint, and eucalyptus. It is also found in processed foods such as beer, cheese, and chocolate. Its odor has been described variously from “apple-like” to “suffocating”.
In addition to its natural sources, isovaleraldehyde can be synthesized in several ways, including
Isovaleraldehyde’s strong aroma makes it useful (in small amounts) as a perfume component. So . . . perfume, chocolate, and beer . . . what else could you possibly need for Valentine’s Day?

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.

The Uses of Isovaleraldehyde

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.

The Uses of Isovaleraldehyde

In artificial flavors and perfumes.

The Uses of Isovaleraldehyde

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.

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.

Properties of Isovaleraldehyde

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
appearance colorless liquid
color  Clear colorless to light yellow
Specific Gravity 0.80
Odor at 0.10 % in dipropylene glycol. ethereal aldehydic chocolate peach fatty
Odor Threshold 0.0001ppm
explosive limit 1.7-6.8%(V)
Water Solubility  15 g/L (20 ºC)
Merck  14,5229
JECFA Number 258
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.
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 for Isovaleraldehyde

Signal word Danger
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Exclamation Mark
Irritant
GHS07
ghs
Environment
GHS09
GHS Hazard Statements H225:Flammable liquids
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Isovaleraldehyde

InChIKey YGHRJJRRZDOVPD-UHFFFAOYSA-N

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