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| | 2-Methylbutyraldehyde Basic information |
| | 2-Methylbutyraldehyde Chemical Properties |
| 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.) | | FEMA | 2691 | 2-METHYLBUTYRALDEHYDE | | refractive index | n20/D 1.3919(lit.) | | Fp | 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 | | Odor Type | cocoa | | explosive limit | 1.3-13%(V) | | biological source | synthetic | | Optical Rotation | -0.13°(C=1.00 g/100ml,CHCL3) | | Water Solubility | Soluble in water, ether, and alcohol. | | Sensitive | Air Sensitive | | JECFA Number | 254 | | BRN | 1633540 | | Henry's Law Constant | 2.5×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) | | Major Application | flavors and fragrances | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3 | | InChIKey | BYGQBDHUGHBGMD-UHFFFAOYSA-N | | SMILES | [H]C(=O)C(C)CC | | LogP | 1.23 at 25℃ | | 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) |
| Hazard Codes | F,Xi | | Risk Statements | 11-36-43-36/37 | | Safety Statements | 16-26-36-39-36/37 | | RIDADR | UN 3371 | | WGK Germany | 1 | | RTECS | ES3400000 | | F | 10-23 | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | II | | HS Code | 29121900 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Aquatic Chronic 2
Eye Irrit. 2
Flam. Liq. 2
Skin Sens. 1
STOT SE 3 |
| | 2-Methylbutyraldehyde Usage And Synthesis |
| 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. | | Uses | Flavoring. | | 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 | | 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). | | Toxics Screening Level | The initial threshold screening level (ITSL) for 2-methylbutyraldehyde is 700 μg/m3 based on an annual averaging time. |
| | 2-Methylbutyraldehyde Preparation Products And Raw materials |
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