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96-17-3

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96-17-3 Usage

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

Different sources of media describe the Chemical Properties of 96-17-3 differently. You can refer to the following data:
1. 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.
2. 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.

Uses

2-Methylbutyraldehyde is used for lift in woody and cocoa topnote complexes. And also used in cocoa, coffee, wine and nut flavors for lift.

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).

Check Digit Verification of cas no

The CAS Registry Mumber 96-17-3 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 9 and 6 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 96-17:
(4*9)+(3*6)+(2*1)+(1*7)=63
63 % 10 = 3
So 96-17-3 is a valid CAS Registry Number.
InChI:InChI=1/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1

96-17-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-methylbutanal

1.2 Other means of identification

Product number -
Other names 2-Methylbutyraldehyde

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:96-17-3 SDS

96-17-3Relevant articles and documents

Production of renewable 1,3-pentadiene over LaPO4 via dehydration of 2,3-pentanediol derived from 2,3-pentanedione

Bai, Chenxi,Cui, Long,Dai, Quanquan,Feng, Ruilin,Liu, Shijun,Qi, Yanlong

, (2022/02/07)

1,3-Pentadiene plays an extremely important role in the production of polymers and fine chemicals. Herein, the LaPO4 catalyst exhibits excellent catalytic performance for the dehydration production of 1,3-pentadiene with 2,3-pentanediol, a C5 diol platform compound that can be easily obtained by hydrogenation of bio-based 2,3-pentanedione. The relationships of catalyst structure-acid/base properties-catalytic performance was established, and an acid-base synergy effect was disclosed for the on-purpose synthesis of 1,3-pentadiene. Thus, a balance between acid and base sites was required, and an optimized LaPO4 with acid/base ratio of 2.63 afforded a yield of 1,3-pentadiene as high as 61.5% at atmospheric pressure. Notably, the Br?nsted acid sites with weak or medium in LaPO4 catalyst can inhibit the occurrence of pinacol rearrangement, resulting in higher 1,3-pentadiene production. In addition, the investigation on reaction pathways demonstrated that the E2 mechanism was dominant in this dehydration reaction, accompanied by the assistance of E1 and E1cb.

Ligand coordination sphere effect of Schiff base cis-dioxomolybdenum(VI) complexes in selective catalytic oxidation of alcohols

Liu, Haiwen,Zhuo, Zihan,Zhang, Yan,Wei, Hang,Zhang, Wenxin,Li, Tong,Mao, Zuodong,Wang, Weili

, p. 1253 - 1261 (2021/08/13)

Several cis-dioxomolybdenum(VI) complexes with Schiff bases-derived ligands were synthesized and fully characterized. The catalytic performances of these complexes were tested in the alcohol oxidation under solvent-free condition using H2O2 as oxidant giving high results. The influence of the oxygen, sulfur, and nitrogen atom within the coordination sphere around the molybdenum center was studied (S?>?N?>?O). From this study, we suggest that there exists a relationship between the electronegativity of the atom and the catalytic performance in alcohol oxidation.

Synthesis of Enantioenriched Amines by Iron-Catalysed Amination of Alcohols Employing at Least One Achiral Substrate

Bottari, Giovanni,Afanasenko, Anastasiia,Castillo-Garcia, Antonio A.,Feringa, Ben L.,Barta, Katalin

supporting information, p. 5436 - 5442 (2021/06/17)

The synthesis of a broad range of enantioenriched amines by the direct Fe-catalysed coupling of amines with alcohols through the borrowing hydrogen strategy, while at least one of these substrates is achiral is reported. When starting from α-chiral amines and achiral alcohols, a wide range of enantioenriched amine products, including N-heterocyclic moieties can be obtained with complete retention of stereochemistry and the power of this method is demonstrated in the one-step synthesis of known pharmaceuticals from commercially available, simple enantiopure primary amines and achiral alcohols. It was also found that the use of β-branched enantioenriched primary alcohols and achiral amines as reaction partners leads to a partial loss of stereochemical integrity in the final product, however, a systematic optimization enabled partial retention of enantiopurity and possible parameters effecting for racemization were identified. (Figure presented.).

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