| Identification | More | [Name]
3-Methylbutyl 3-methylbutanoate | [CAS]
659-70-1 | [Synonyms]
2(3)-METHYL BUTANOIC-1-ACID:2(3)-METHYL BUTYL-1-ESTER
3-Methylbutyl 3-methylbutanoate
3-METHYLBUTYL 3-METHYLBUTYRATE
3-METHYLBUTYL ISOVALERATE
AMYL VALERATE
FEMA 2085
ISOAMYL ISOPENTANOATE
ISOAMYL ISOVALERATE
ISOPENTYL ISOPENTANOATE
ISOPENTYL ISOVALERATE
ISOVALERIC ACID ISOAMYL ESTER
(3-methyl-1-butyl)3-methylbutanoate
3-methyl-butanoicaci3-methylbutylester
3-methyl-butanoicacid3-methyl-butylester
3-methylbutanoicacid3-methylbutylester
Apple oil
Appleoil
Butanoicacid,3-methyl-,3-methylbutylester
Isoamyl valerianate
iso-Amylvalerianate | [EINECS(EC#)]
201-730-4 | [Molecular Formula]
C10H20O2 | [MDL Number]
MFCD00048369 | [Molecular Weight]
172.26 | [MOL File]
659-70-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
-58.15°C | [Boiling point ]
192-193 °C (lit.) | [density ]
0.854 g/mL at 25 °C(lit.)
| [vapor pressure ]
0.8 hPa (20 °C) | [FEMA ]
2085 | [refractive index ]
n20/D 1.412(lit.)
| [Fp ]
152 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
0.016g/l | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [Odor]
at 100.00 %. sweet fruity green ripe apple jammy tropical | [biological source]
synthetic | [Odor Type]
fruity | [Water Solubility ]
48.1mg/L at 20℃ | [JECFA Number]
50 | [Merck ]
5121 | [Henry's Law Constant]
4.0×10-3 mol/(m3Pa) at 25℃, Yaws (1999) | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3 | [InChIKey]
XINCECQTMHSORG-UHFFFAOYSA-N | [SMILES]
CC(C)CCOC(=O)CC(C)C | [LogP]
3.8 at 35℃ | [CAS DataBase Reference]
659-70-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Butanoic acid, 3-methyl-, 3-methylbutyl ester(659-70-1) | [EPA Substance Registry System]
659-70-1(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS09 | [Signal word ]
Warning | [Hazard statements ]
H411 | [Precautionary statements ]
P273-P391-P501 | [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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
2
| [RTECS ]
NY1508000
| [TSCA ]
TSCA listed | [REACH Registrations]
Active | [HS Code ]
29156000 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Aquatic Chronic 2 | [Toxicity]
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
| Hazard Information | Back Directory | [Description]
Isoamyl isovalerate has a characteristic fruity odor and a sweet
apple-like flavor. May be prepared by passing vapors of isoamyl
alcohol and isovaleric aldehyde over a copper uranium based catalyst at 240 - 280°C in the presence of hydrogen.
| [Chemical Properties]
Isoamyl isovalerate has a fruity, sweet, apple, apricot, mango-characteristic fruity odor and sweet-apple-like flavor. | [Occurrence]
Reported found in the ether oil from leaves of Eucalyptus microcorys, angelica root oil and mastic gum leaf
and fruit oils. Also reported in wine, oil of hop, olive oil, banana, tomato, peppermint and spearmint oil, beer, rum, whiskies, cider,
sherry, plum, quince, cherimoya and lamb’s lettuce. | [Uses]
As apple essence for flavoring liqueurs and candy. | [Uses]
Isopentyl 3-Methylbutanoate is used in method for preparing essence compound of olfactory recognition book suitable for olfactory sense of Chines. | [Definition]
ChEBI: Isoamyl isovalerate is a fatty acid ester. | [Preparation]
By passing vapors of isoamyl alcohol and isovaleric aldehyde over a copper–uranium-based catalyst at 240 to 280°C in
the presence of hydrogen | [Production Methods]
3-Methylbutyl 3-methylbutanoate can be produced by:
1) direct esterification of iso-Amyl alcohol
with iso-Valerie acid under azeotropic conditions.
2) controlled oxidation of iso-Amyl alcohol with Potassium bichromate-Sulfuric
acid mixture. | [Aroma threshold values]
Detection: 20 ppb; aroma characteristics at 1.0% in ethanol: sweet, fruity, green apple and estry. | [Taste threshold values]
Taste characteristics at 15 ppm: green, fruity, estry, apple, pineapple and tutti-frutti | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 52, p. 4319, 1987 DOI: 10.1021/jo00228a032 | [General Description]
Isoamyl isovalerate is an apple flavor volatile compound mainly found in apple and banana. It is used as a flavoring agent in chewing gums, candies and baked goods. | [Biochem/physiol Actions]
Taste at 1.0 ppm |
| Questions And Answer | Back Directory | [Aroma]
Peculiar fruity odor reminiscent of ripe
apples, or more like the overwhelmingly
choking odor of apples stored in a warehouse,
almost a "fermented" apple odor.
Fresh-fruity taste, reminiscent of apple rind.
Also of raspberry.
Finds extensive use of 3-Methylbutyl 3-methylbutanoate in flavor compositions,
primarily in imitation Apple, and in the related "wine" or "Champagne" type imitation
flavors for soft candy, beverages, etc. Further
as a modifier in imitation Apricot, Banana,
Cherry, Honey, Peach, Pineapple, Mango,
Raspberry, Strawberry, Walnut - and in combination flavors such as Cream Soda, Tutti.
frutti, Rum and in Vanilla.
A specific use is the application in imitation
Gooseberry flavor. Concentrations are usually
around 50-60 ppm, except in chewing gum,
where it may be as high as 400 ppm. (Calculated on functional consumer product). |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| 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
|
| Telephone: |
+86 (573) 82222445 (0)18006601000 452520369 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm |
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