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Product Name: |
Isobutyl Isobutyrate |
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CAS: |
101-97-3 |
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MF: |
C10H12O2 |
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MW: |
164.2 |
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EINECS: |
202-993-8 |
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Mol File: |
101-97-3.mol |
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|
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Melting point |
-29 °C |
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Boiling point |
229 °C(lit.) |
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density |
1.03 g/mL at 25 °C(lit.) |
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FEMA |
2452 | ETHYL PHENYLACETATE |
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refractive index |
n20/D 1.497(lit.) |
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Fp |
172 °F |
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storage temp. |
Store below +30°C. |
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form |
neat |
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Water Solubility |
insoluble |
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Merck |
14,3840 |
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JECFA Number |
1009 |
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BRN |
509140 |
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InChIKey |
DULCUDSUACXJJC-UHFFFAOYSA-N |
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CAS DataBase Reference |
101-97-3(CAS DataBase Reference) |
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NIST Chemistry Reference |
Benzeneacetic acid, ethyl ester(101-97-3) |
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EPA Substance Registry System |
Benzeneacetic acid, ethyl ester (101-97-3) |
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Safety Statements |
23-24/25 |
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WGK Germany |
2 |
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RTECS |
AJ2824000 |
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TSCA |
Yes |
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HS Code |
29163500 |
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Chemical Properties |
Isobutyl Isobutyrate is a volatile aroma component of fruit and honey. It is a colorless liquid with a strong, sweet odor reminiscent of honey. Small amounts are used in flower perfumes and in fruit flavors. |
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Chemical Properties |
Ethyl phenylacetate has a pleasant, strong, sweet odor suggestive of honey and a bittersweet flavor. |
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Chemical Properties |
clear colourless to pale yellowish liquid |
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Occurrence |
Reported found in grapefruit juice, apple juice, figs, guava, pineapple, papaya, cognac, cider, grape wines and port wine. |
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Uses |
In perfumery. |
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Preparation |
By heating at the boil phenylacetonitrile and sulfuric acid in alcohol solution; by esterification of the acid catalyzed by HCl or H2SO4 |
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Aroma threshold values |
Detection: 650 ppb |
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Taste threshold values |
Taste characteristics at 10 ppm: sweet, fruity, honey, cocoa, apple and woody |
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Safety Profile |
Moderately toxic by ingestion. Combustible liquid. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS. |
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Purification Methods |
Shake the ester with saturated aqueous Na2CO3 (three times), aqueous 50% CaCl2 (twice) and saturated aqueous NaCl (twice). Dry with CaCl2 and distil it under reduced pressure. [Beilstein 9 H 434, 9 IV 1618.] |
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Preparation Products |
Phenethyl alcohol-->Acetamide-->Phenthoate-->2-PHENYLMALONAMIDE-->Phenobarbital-->Diethyl 2-ethyl-2-phenylmalonate-->BUCILLAMINE-->1-Phenyl-1-cyclopropanecarboxylic acid-->ETHYL ALPHA-CHLOROPHENYLACETATE-->Diethyl phenylmalonate-->ETHYL A-ETHOXYOXALYLPHENYL ACETATE-->Ethyl alpha-Formyl Benzeneacetic Acid Ester-->Leucoson |
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Raw materials |
Benzeneacetonitrile-->Phenylacetic acid-->2-Phenylacetamide |
