ChemicalBook--->CAS DataBase List--->109-19-3

109-19-3

109-19-3 Structure

109-19-3 Structure
IdentificationMore
[Name]

Butyl isovalerate
[CAS]

109-19-3
[Synonyms]

BUTYL-3-METHYLBUTANOATE
BUTYL ISOPENTANOATE
BUTYL ISOVALERATE
BUTYL ISOVALERIANATE
FEMA 2218
ISOVALERIC ACID BUTYL ESTER
N-BUTYL ISOVALERATE
1-Butyl isovalerate
1-butylisovalerate
3-methyl-butanoicacibutylester
3-Methylbutanoicacidbutylester
3-methyl-butyricacidbutylester
Butyl 3-methylbutyrate
butyl3-methylbutyrate
n-Butyl 3-methylbutanoate
n-Butyl isopentanoate
n-butylisopentanoate
BUTYL ISOVALERATE 98+% FCC
BUTYL ISOVALERATE 97% NATURAL
BUTYL ISOVALERATE STANDARD FOR GC
[EINECS(EC#)]

203-654-7
[Molecular Formula]

C9H18O2
[MDL Number]

MFCD00048775
[Molecular Weight]

158.24
[MOL File]

109-19-3.mol
Chemical PropertiesBack Directory
[Appearance]

Butyl Isovalerate is a clear liquid.
[Melting point ]

-92.8°C (estimate)
[Boiling point ]

175 °C(lit.)
[density ]

0.858 g/mL at 25 °C(lit.)
[FEMA ]

2218
[refractive index ]

n20/D 1.409(lit.)
[Fp ]

145 °F
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Odor]

at 100.00 %. apple pear fruit sweet pineapple green peach
[biological source]

synthetic
[Odor Threshold]

0.012ppm
[Odor Type]

fruity
[JECFA Number]

198
[BRN ]

1752803
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3
[InChIKey]

AYWJSCLAAPJZEF-UHFFFAOYSA-N
[SMILES]

CCCCOC(=O)CC(C)C
[LogP]

3.18
[CAS DataBase Reference]

109-19-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanoic acid, 3-methyl-, butyl ester(109-19-3)
[EPA Substance Registry System]

109-19-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

1993
[WGK Germany ]

2
[RTECS ]

NY1502000
[TSCA ]

TSCA listed
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29156000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Hazardous Substances Data]

109-19-3(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Butanol-->carbon monoxide-->1-Bromobutane-->Isovaleryl chloride-->Isobutylene-->Isovaleric acid
Hazard InformationBack Directory
[Potential Exposure]

May be used as a specialty solvent; food additive
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately.
[Shipping]

UN3272 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
[Incompatibilities]

Vapor 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)
[Description]

Butyl Isovalerate is a clear liquid. Molecularweight =158.27; Boiling point = 150℃; Flash point =53℃. Hazard Identification (based on NFPA 704 M RatingSystem): Health 0, Flammability 2, Reactivity 0. Insolublein water.
[Chemical Properties]

Butyl isovalerate has an odor reminiscent of the isobutyl ester with a sweet, apple-like taste.
[Chemical Properties]

Butyl Isovalerate is a clear liquid.
[Waste Disposal]

Dissolve 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.
[Occurrence]

Reported found in the oil from leaves of Eriostemon coxii and Phebalium dentatum; also in apricot, banana, cheeses, olive and plum.
[Uses]

Butyl isovalerate is occasionally used in flavor compositions, mainly in Chocolate flavors and fantasy fruit or Tutti-frutti, etc. Concentrations are normally about 50 ppm in the finished product.
[Definition]

ChEBI: Butyl 3-methylbutanoate is a fatty acid ester.
[Preparation]

By prolonged boiling of the acid with n-butyl alcohol in benzene in the presence of concentrated H2SO4.
[Taste threshold values]

Taste characteristics at 5 ppm: fruity, sweet, pineapple, ripe, musty and green with a slight cheesy nuance.
[storage]

Color Code—Red: Flammability Hazard: Store in aflammable liquid storage area or approved cabinet away fromButyl isovalerate 479ignition sources and corrosive and reactive materials. Prior toworking with this chemical you should be trained on itsproper handling and storage. Before entering confined spacewhere butyl isovalerate may be present, check to make surethat an explosive concentration does not exist. Store in tightlyclosed containers in a cool, well-ventilated area. Metal containers involving the transfer of this chemical should begrounded and bonded. Where possible, automatically pumpliquid from drums or other storage containers to process containers. Drums must be equipped with self-closing valves,pressure vacuum bungs, and flame arresters. Use only nonsparking tools and equipment, especially when opening andclosing containers of this chemical. Sources of ignition, suchas smoking and open flames, are prohibited where this chemical is used, handled, or stored in a manner that could create apotential fire or explosion hazard
Spectrum DetailBack Directory
[Spectrum Detail]

Butyl isovalerate(109-19-3)MS
Butyl isovalerate(109-19-3)13CNMR
Butyl isovalerate(109-19-3)IR1
Butyl isovalerate(109-19-3)IR2
Butyl isovalerate(109-19-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

109-19-3(sigmaaldrich)
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