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ChemicalBook--->CAS DataBase List--->96-17-3

96-17-3

96-17-3 Structure

96-17-3 Structure
IdentificationMore
[Name]

2-Methylbutyraldehyde
[CAS]

96-17-3
[Synonyms]

2-METHYLBUTANAL
2-METHYLBUTYRALDEHYDE
FEMA 2691
α-Methylbutyraldehyde
METHYL ETHYL ACETALDEHYDE
(RS)-2-Methylbutanal
2-Ethylpropanal
2-Formylbutane
2-Methyl-1-butanal
2-methyl-butana
2-methyl-butyraldehyd
2-Methylbutyric aldehyde
2-Methylbutyricaldehyde
Acetaldehyde, ethylmethyl-
alpha-Methylbutanal
alpha-Methylbutyraldehyde
alpha-Methylbutyric aldehyde
alpha-methylbutyricaldehyde
Butanal,2-methyl-
Butanal,2-methyl-,(±)-
[EINECS(EC#)]

202-485-6
[Molecular Formula]

C5H10O
[MDL Number]

MFCD00006984
[Molecular Weight]

86.13
[MOL File]

96-17-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless liquid
[Melting point ]

-67.38°C (estimate)
[Boiling point ]

90-92 °C (lit.)
[density ]

0.804 g/mL at 25 °C(lit.)
[FEMA ]

2691
[refractive index ]

n20/D 1.3919(lit.)
[Fp ]

40 °F
[storage temp. ]

Flammables area
[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)
[Odor Type]

cocoa
[Water Solubility ]

Soluble in water, ether, and alcohol.
[Sensitive ]

Air Sensitive
[JECFA Number]

254
[BRN ]

1633540
[LogP]

1.23 at 25℃
[Uses]

Flavoring.
[CAS DataBase Reference]

96-17-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanal, 2-methyl-(96-17-3)
[EPA Substance Registry System]

96-17-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F,Xi
[Risk Statements ]

R11:Highly Flammable.
R36:Irritating to the eyes.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S39:Wear eye/face protection .
[RIDADR ]

UN 3371 3/PG 2
[WGK Germany ]

1
[RTECS ]

ES3400000
[F ]

10-23
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29121900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

FUSEL OIL
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Methylbutyraldehyde(96-17-3).msds
Hazard InformationBack Directory
[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]

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.
[Chemical Properties]

clear colorless to light yellow liquid
[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.
[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.
[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
[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).
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methylbutyraldehyde(96-17-3)MS
2-Methylbutyraldehyde(96-17-3)1HNMR
2-Methylbutyraldehyde(96-17-3)13CNMR
2-Methylbutyraldehyde(96-17-3)IR1
2-Methylbutyraldehyde(96-17-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Methylbutyraldehyde, 98%(96-17-3)
[Alfa Aesar]

2-Methylbutyraldehyde, 95%(96-17-3)
[Sigma Aldrich]

96-17-3(sigmaaldrich)
[TCI AMERICA]

2-Methylbutyraldehyde,>95.0%(GC)(96-17-3)
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