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Product Name: |
3-Methylbutyl 3-methylbutanoate |
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Synonyms: |
Iso-Amyl Isovalerat;(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 |
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CAS: |
659-70-1 |
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MF: |
C10H20O2 |
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MW: |
172.26 |
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EINECS: |
211-536-1 |
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Product Categories: |
Alphabetical Listings;Certified Natural ProductsFlavors and Fragrances;Flavors and Fragrances;I-L |
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Mol File: |
659-70-1.mol |
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Melting point |
-58.15°C |
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Boiling point |
192-193 °C(lit.) |
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density |
0.854 g/mL at 25 °C(lit.) |
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vapor pressure |
0.8 hPa (20 °C) |
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refractive index |
n20/D 1.412(lit.) |
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FEMA |
2085 | ISOAMYL ISOVALERATE |
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Fp |
152 °F |
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storage temp. |
Store below +30°C. |
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solubility |
0.016g/l |
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JECFA Number |
50 |
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Merck |
14,5121 |
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CAS DataBase Reference |
659-70-1(CAS DataBase Reference) |
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NIST Chemistry Reference |
Butanoic acid, 3-methyl-, 3-methylbutyl ester(659-70-1) |
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EPA Substance Registry System |
3-Methylbutyl isovalerate (659-70-1) |
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Hazard Codes |
Xi |
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Risk Statements |
36/37/38 |
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Safety Statements |
26-36/37/39 |
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WGK Germany |
2 |
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RTECS |
NY1508000 |
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HS Code |
2915 60 90 |
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Toxicity |
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
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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. |
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Chemical Properties |
Isoamyl isovalerate has a fruity, sweet, apple, apricot, mango-characteristic fruity odor and sweet-apple-like flavor. |
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Uses |
As apple essence for flavoring liqueurs and candy. |
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Aroma threshold values |
Detection: 20 ppb; aroma characteristics at 1.0% in ethanol: sweet, fruity, green apple and estry. |
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Taste threshold values |
Taste characteristics at 15 ppm: green, fruity, estry, apple, pineapple and tutti-frutti |
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Raw materials |
SULFURIC ACID-->Calcium chloride-->Potassium dichromate-->3-Methyl-1-butanol-->(2S)-1-(3-Acetylthio-2-methyl-1-oxopropyl)-L-proline-->FUSEL OIL-->Isovaleraldehyde-->URANIUM |
