Butyl isovalerate

Butyl isovalerate Basic information
Product Name:Butyl isovalerate
Synonyms:butyl3-methylbutyrate;n-Butyl 3-methylbutanoate;n-Butyl isopentanoate;n-butylisopentanoate;BUTYL ISOVALERATE, NATURAL;Butylisovalerat;BUTYLISOVALERIANAT;Butanoicacid,3-methyl-,bu
CAS:109-19-3
MF:C9H18O2
MW:158.24
EINECS:203-654-7
Product Categories:A-BFlavors and Fragrances;Certified Natural Products;Alphabetical Listings;Flavors and Fragrances;BI - BZAnalytical Standards;Fatty AcidsAnalytical Standards;A-BAlphabetic;Alpha Sort;B;Chemical Class;EstersOther Lipid Related Products;Lipid Analytical Standards;Solvents;Volatiles/ Semivolatiles;A-B
Mol File:109-19-3.mol
Butyl isovalerate Structure
Butyl isovalerate Chemical Properties
Melting point -92.8°C (estimate)
Boiling point 175 °C(lit.)
density 0.858 g/mL at 25 °C(lit.)
FEMA 2218 | BUTYL ISOVALERATE
refractive index n20/D 1.409(lit.)
Fp 145 °F
form clear liquid
color Colorless to Almost colorless
Odorat 100.00 %. apple pear fruit sweet pineapple green peach
Odor Typefruity
Odor Threshold0.012ppm
JECFA Number198
BRN 1752803
InChIKeyAYWJSCLAAPJZEF-UHFFFAOYSA-N
LogP3.18
CAS DataBase Reference109-19-3(CAS DataBase Reference)
NIST Chemistry ReferenceButanoic acid, 3-methyl-, butyl ester(109-19-3)
EPA Substance Registry SystemButyl isovalerate (109-19-3)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
RIDADR 1993
WGK Germany 2
RTECS NY1502000
HazardClass 3.2
PackingGroup III
HS Code 29156000
Hazardous Substances Data109-19-3(Hazardous Substances Data)
MSDS Information
ProviderLanguage
SigmaAldrich English
Butyl isovalerate Usage And Synthesis
Chemical PropertiesButyl isovalerate has an odor reminiscent of the isobutyl ester with a sweet, apple-like taste.
Chemical PropertiesButyl Isovalerate is a clear liquid.
OccurrenceReported found in the oil from leaves of Eriostemon coxii and Phebalium dentatum; also in apricot, banana, cheeses, olive and plum.
PreparationBy prolonged boiling of the acid with n-butyl alcohol in benzene in the presence of concentrated H2SO4.
DefinitionChEBI: Butyl 3-methylbutanoate is a fatty acid ester.
Taste threshold valuesTaste characteristics at 5 ppm: fruity, sweet, pineapple, ripe, musty and green with a slight cheesy nuance.
Potential ExposureMay be used as a specialty solvent; food additive
ShippingUN3272 Ethers, n.o.s., Hazard class: 3; Labels: 3—Flammable liquid. UN1993 Flammable liquids, n.o.s., Hazard Class: 3; Labels: 3—Flammable liquid, Technical Name Required
IncompatibilitiesVapor may form explosive mixture with air. Reaction, possibly violent, on contact with oxidizers. Compounds of the carboxyl group react with all bases, both inorganic and organic (i.e., amines) releasing substantial heat, water and a salt that may be harmful. Incompatible with arsenic compounds (releases hydrogen cyanide gas), diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides (releasing heat, toxic and possibly flammable gases), thiosulfates and dithionites (releasing hydrogen sulfate and oxides of sulfur)
Waste DisposalDissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
Butyl isovalerate Preparation Products And Raw materials
Raw materials1-Butanol-->carbon monoxide-->1-Bromobutane-->Isovaleryl chloride-->Isobutylene-->Isovaleric acid
2-Methylbutyl isovalerate Cyhalofop-butyl QUASSIN BIS(1H,1H,7H-PERFLUOROHEPTYL)DICAMPHORATE sec-butyl isovalerate RUBRATOXIN B Butyl acrylate resin tert-Butyl methacrylate Buprofezin FEMA 3506 N-BUTYL CINNAMATE Butyl isovalerate Madecassoside Tetrahydromethyl-1,3-isobenzofurandione 2,2-Bis(hydroxymethyl)butyric acid BUTYL OLEATE BUTYL VALERATE BUTYL ISOVALERATE FCC

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