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| IUPAC name : | butyl 2-methylpropanoate |
| InChI : | InChI=1/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey : | JSLCOZYBKYHZNL-UHFFFAOYAH |
| SMILES : | CCCCOC(=O)C(C)C |
| (EINECS) number : | 202-614-6 |
| cas number : | 97-87-0 |
| fema number : | 2188 |
| coe number : | 291 |
| jecfa number : | 188 |
| fl. number : | 09.416 |
| molar refractivity : | 40.84 ± 0.3 cm3 |
| parachor : | 372.5 ± 4.0 cm3 |
| index of refraction : | 1.411 ± 0.02 |
| surface tension : | 26.3 ± 3.0 dyne/cm |
| density : | 0.876 ± 0.06 g/cm3 |
| polarizability : | 16.19 ± 0.5 10-24cm3 |
| xlogp : | 2.10 |
| molecular weight : | 144.2114400 |
| formula : | C8 H16 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet fruity green tutti frutti melon apple banana |
| taste description³ : | at 10.00 ppm.
Sweet, fruity, apple, strawberry, banana, tutti frutti with a winey, blue cheesey nuance. |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.85900 - 0.86400 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.148 to 7.189
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| refractive index : | 1.40100 - 1.40400 @ 20.00 °C.
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| boiling point : | 156.00 - 158.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.65 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 2.70 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 114.00 °F. TCC ( 45.56 °C. )
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| recommendation for butyl isobutyrate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for butyl isobutyrate usage levels up to : |
| | 2000.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 202-614-6 |
| rtecs : | UA2466945 for 97-87-0 |
| chemidplus : | 000097870 |
| epa-srs : | 97-87-0 |
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| other : | |
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| references : | |
| jecfa number : | 188 |
| fl. number : | 09.416 |
| pubchem : | 150417 |
| NIST Chemistry WebBook : | 1379750281 |
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| reference : | Mosciano, Gerard P&F 23, No. 5, 49, (1998)³ |