2-Methylbutyraldehyde
Synonym(s):2-Methylbutanal
- CAS NO.:96-17-3
- Empirical Formula: C5H10O
- Molecular Weight: 86.13
- MDL number: MFCD00006984
- EINECS: 202-485-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-08 20:21:46
What is 2-Methylbutyraldehyde?
Description
2-Methylbutyraldehyde has a powerful, choking odor with a peculiar cocoa and coffee-like flavor when diluted. It has a sweet, slightly fruity, chocolate-like taste. May be prepared by oxidation of sec-butylcarbinol isolated from fermented fusel oil; the dl-form from sec-butyl magnesium bromide and formaldehyde; by reduction of methylethylacetic acid.
Chemical properties
clear colorless to light yellow liquid
Chemical properties
2-Methylbutyraldehyde has a powerful, choking odor with a peculiar cocoa and coffee-like flavor when diluted. This compound is also reported to have a sweet, slightly fruity, chocolate-like taste.
Occurrence
Reported found in apple juice, berries, grapes, papaya, peach, kohlrabi, onion, leek, peas, potato, bell pepper, tomato, peppermint and spearmint oil, breads, cheeses, milk, egg, fatty and lean fish, meats, beer, cognac, rum, cocoa, coffee, tea, filberts, peanuts, pecans, oat flakes, soybean, olive, passion fruit, plum, beans, mushrooms, trassi, macadamia nut, tamarind, cardamom, rice, quince, lovage leaf, pumpkin, sweet corn, laurel, malt, clary sage, truffle, clam, scallops, squid, Chinese quince and Roman chamomile oil, black currant and Swiss cheese.
The Uses of 2-Methylbutyraldehyde
2-Methylbutyraldehyde is used for lift in woody and cocoa topnote complexes. And also used in cocoa, coffee, wine and nut flavors for lift.
The Uses of 2-Methylbutyraldehyde
Flavoring.
Preparation
By oxidation of sec-butylcarbinol isolated from fermented fusel oil; the dl-form from sec-butyl magnesium bromide and formaldehyde; by reduction of methylethylacetic acid
Definition
ChEBI: 2-methylbutanal is a methylbutanal in which the methyl substituent is at position 2. It has a role as a volatile oil component, a plant metabolite and a Saccharomyces cerevisiae metabolite. It is a 2-methyl-branched fatty aldehyde and a methylbutanal.
Taste threshold values
characteristics at 10 ppm: green, fruity, musty with a berry nuance, musty, furfural and rummy, with nutty and cereal notes, caramel and fruity undernotes.
General Description
2-Methylbutyraldehyde has been identified as one of the important flavor compounds in barley crystal malts, baked potatoes, whole milk powder (WMP).
Properties of 2-Methylbutyraldehyde
Melting point: | -67.38°C (estimate) |
Boiling point: | 90-92 °C (lit.) |
Density | 0.806 g/mL at 20 °C
0.804 g/mL at 25 °C (lit.) |
refractive index | n |
FEMA | 2691 | 2-METHYLBUTYRALDEHYDE |
Flash point: | 40 °F |
storage temp. | 2-8°C |
solubility | soluble in Chloroform, Methanol |
form | Liquid |
color | Clear colorless |
Odor | at 1.00 % in dipropylene glycol. musty cocoa phenolic coffee nutty malty fermented fatty alcoholic |
explosive limit | 1.3-13%(V) |
Water Solubility | Soluble in water, ether, and alcohol. |
Sensitive | Air Sensitive |
JECFA Number | 254 |
BRN | 1633540 |
CAS DataBase Reference | 96-17-3(CAS DataBase Reference) |
NIST Chemistry Reference | Butanal, 2-methyl-(96-17-3) |
EPA Substance Registry System | 2-Methylbutanal (96-17-3) |
Safety information for 2-Methylbutyraldehyde
Signal word | Danger |
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 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. P233:Keep container tightly closed. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. 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 2-Methylbutyraldehyde
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