| Identification | More | [Name]
Isobutyl hexanoate | [CAS]
105-79-3 | [Synonyms]
2-METHYLPROPYL HEXANOATE
BUTYL ISO, CAPROATE
BUTYL ISO, HEXANOATE
FEMA 2202
HEXANOIC ACID ISOBUTYL ESTER
ISOBUTYL CAPROATE
ISOBUTYL HEXANOATE
ISOBUTYL N-HEXANOATE
LABOTEST-BB LT00053713
N-CAPROIC ACID ISOBUTYL ESTER
N-HEXANOIC ACID ISOBUTYL ESTER
Hexanoicacid,2-methylpropylester
isobutylcaproate(combustibleliquid,n.o.s.)
2-Methyl-1-propyl caproate
ISOBUTYL HEXANOATE 95+% NATURAL
ISOBUTYL HEXANOATE 98+%
Isobutylhexanoat
ISOBUTYL CAPROATE, NATURAL
Caproic acid isobutyl
Caproic acid isobutyl ester | [EINECS(EC#)]
203-332-6 | [Molecular Formula]
C10H20O2 | [MDL Number]
MFCD00048870 | [Molecular Weight]
172.26 | [MOL File]
105-79-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
-64.3°C (estimate) | [Boiling point ]
348-350 °C (lit.) | [density ]
0.856 g/mL at 25 °C(lit.)
| [FEMA ]
2202 | [refractive index ]
n20/D 1.414(lit.)
| [Fp ]
169 °F
| [storage temp. ]
2-8°C | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [Odor]
at 100.00 %. fruity pineapple green apple skin green apple sour tropical peach earthy | [biological source]
synthetic | [Odor Type]
fruity | [JECFA Number]
166 | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3 | [InChIKey]
UXUPPWPIGVTVQI-UHFFFAOYSA-N | [SMILES]
CCCCCC(=O)OCC(C)C | [LogP]
3.71 | [CAS DataBase Reference]
105-79-3(CAS DataBase Reference) | [NIST Chemistry Reference]
Hexanoic acid, 2-methylpropyl ester(105-79-3) | [EPA Substance Registry System]
105-79-3(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
36/37 | [Safety Statements ]
26 | [WGK Germany ]
2
| [RTECS ]
MO8389000
| [TSCA ]
TSCA listed | [HS Code ]
29156000 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2 |
| Hazard Information | Back Directory | [General Description]
A liquid. Flash point 198°F. Insoluble in water and less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals. | [Reactivity Profile]
ISOBUTYL CAPROATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. | [Air & Water Reactions]
Insoluble in water. | [Health Hazard]
Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. | [Description]
Isobutyl hexanoate has a fruity odor with a cocoa-like undertone.
May be synthesized by direct esterifiication.
| [Chemical Properties]
Apple, fruity odor with cocoa-like underto | [Occurrence]
Reported found in banana, grapes, apple, apricot, beer, rum, cognac, malt whiskey, cider, sherry, grape wines,
passion fruit, apple brandy, plum wine, quince, sea buckthorn (Hippophae rhamnoides L.), spineless monkey orange and Chinese
quince peel | [Uses]
Isobutyl hexanoate is used extensively in flavor compositions, primarily in imitation Pineapple, but also in Apple, Grape and other fruity types. It is occasionally used for special effects in Oriental fragrances, mainly as a modifier in the fruity complex and topnote. The concentration of this ester in the finished consumer product will normally be about 8 ppm. | [Definition]
ChEBI: A hexanoate ester resulting from the formal condensation of hexanoic acid (caproic acid) with isobutanol. | [Preparation]
By direct esterification of heptanoic acid with isobutyl alcohol or by treating heptanoic acid and isobutyl alcohol in the
presence of defatted Chelidonium majus seeds at 20°C for 3 days. | [Aroma threshold values]
Aroma characteristics at 2.0%: sweet, estry, fruity pineapple, green apple, peach and tropica | [Taste threshold values]
Taste characteristics at 10 ppm: fruity, sweet, pineapple, green, tropical and estry.
| [Biochem/physiol Actions]
Taste at 10 ppm |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
jiliang chemicals
|
| Telephone: |
21-62165282 |
| Website: |
http://www.jiliangchem.com |
| Company Name: |
Maya High Purity Chemicals
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| Telephone: |
+86 (573) 82222445 (0)18006601000 452520369 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm |
| Company Name: |
Sigma-Aldrich
|
| Telephone: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
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