3658-94-4

Basic information

• Product Name: Butane, 1,1-diethoxy-2-methyl-
• Synonyms: Butane, 1,1-diethoxy-2-methyl-;1,1-DIETHOXY-2-METHYLBUTANE
• CAS NO: 3658-94-4
• Molecular Formula: C9H20 O2
• Molecular Weight: 160.25
• Mol File: 3658-94-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 162°C at 760 mmHg
• Flash Point: 30.3°C
• Appearance: /
• Density: 0.84g/cm³
• Vapor Pressure: 2.89mmHg at 25°C
• Refractive Index: 1.409
• CAS DataBase Reference: Butane, 1,1-diethoxy-2-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Butane, 1,1-diethoxy-2-methyl-(3658-94-4)
• EPA Substance Registry System: Butane, 1,1-diethoxy-2-methyl-(3658-94-4)

Safety Data

• Hazardous Substances Data: 3658-94-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H20O2/c1-5-8(4)9(10-6-2)11-7-3/h8-9H,5-7H2,1-4H3

Upstream product

• 14444-77-0 diethyl phenyl orthoformate 
• 671795-46-3 sec-butylmagnesium bromide 
• 74734-01-3 diethyl o-(2-methoxyethoxy)phenyl ortoformate 
• 122-51-0 orthoformic acid triethyl ester 
• 96-17-3 2-Methylbutyraldehyde 
• 64-17-5 ethanol 

Relevant articles and documents

Quantitation, Organoleptic Contribution, and Potential Origin of Diethyl Acetals Formed from Various Aldehydes in Cognac

Cognac wine distillate (WD), especially that produced during aging, is marked by complex and elegant aroma. This work aimed at expanding the knowledge on the Cognac WD aroma by a sensory-guided approach, involving a fractional-distillation technique and gas chromatography coupled to olfactometry and mass spectrometry (GC-O-MS). In doing so, a fruity-odor zone was highlighted in WD extracts that was attributed to the diethyl acetal family. Ten additional diethyl acetals were detected by GC-MS. Next, an assay method was developed and validated for seven of these diethyl acetals. Their detection thresholds were evaluated in a model solution of water/ethanol (60:40, v/v). 1,1-Diethoxy-3-methylbutane was shown to present a significant organoleptic impact because its olfactory-detection threshold (323 μg/L) is lower than its range of concentrations in WD (461 to 3337 μg/L). Given that diethyl acetals result from reactions between ethanol and aldehydes, quantitative correlations between diethyl acetals and corresponding aldehydes were considered.

Characterization of aroma compounds of Chinese "Wuliangye" and "Jiannanchun" liquors by aroma extract dilution analysis

Aroma compounds in Chinese "Wuliangye" liquor were identified by gas chromatography-olfactometry (GC-O) after fractionation. A total of 132 odorants were detected by GC-O in Wuliangye liquor on DB-wax and DB-5 columns. Of these, 126 aromas were identified by GC-mass spectrometry (MS). Aroma extract dilution analysis (AEDA) was further employed to identify the most important aroma compounds in "Wuliangye" and "Jiannanchun" liquors. The results showed that esters could be the most important class, especially ethyl esters. Various alcohols, aldehydes, acetals, alkylpyrazines, furan derivatives, lactones, and sulfur-containing and phenolic compounds were also found to be important. On the basis of flavor dilution (FD) values, the most important aroma compounds in Wuliangye and Jiannanchun liquors could be ethyl butanoate, ethyl pentanoate, ethyl hexanoate, ethyl octanoate, butyl hexanoate, ethyl 3-methylbutanoate, hexanoic acid, and 1,1-diethoxy-3-methylbutane (FD ≥ 1024). These compounds contributed to fruity, floral, and apple- and pineapple-like aromas with the exception of hexanoic acid, which imparts a sweaty note. Several pyrazines, including 2,5-dimethyl-3-ethylpyrazine, 2-ethyl-6-methylpyrazine, 2,6-dimethylpyrazine, 2,3,5-tri-methylpyrazine, and 3,5-dimethyl-2-pentylpyrazine, were identified in these two liquors. Although further quantitative analysis is required, it seems that most of these pyrazine compounds had higher FD values in Wuliangye than in Jiannanchun liquor, thus imparting stronger nutty, baked, and roasted notes in Wuliangye liquor.