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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | [4-(3-oxobutyl)phenyl] acetate |
| InChI : | InChI=1/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3 |
| InChIKey : | UMIKWXDGXDJQJK-UHFFFAOYAB |
| SMILES : | CC(=O)CCC1=CC=C(C=C1)OC(=O)C |
| (EINECS) number : | 222-682-0 |
| cas number : | 3572-06-3 |
| fema number : | 3652 |
| jecfa number : | 731 |
| fl. number : | 09.288 |
| molar refractivity : | 56.43 ± 0.3 cm3 |
| parachor : | 470.0 ± 4.0 cm3 |
| index of refraction : | 1.505 ± 0.02 |
| surface tension : | 37.4 ± 3.0 dyne/cm |
| density : | 1.085 ± 0.06 g/cm3 |
| polarizability : | 22.37 ± 0.5 10-24cm3 |
| xlogp : | 1.70 |
| molecular weight : | 206.2377600 |
| formula : | C12 H14 O3 |
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| fda reg : | unspecified |
h. number : | 2916.35.1500 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | berry jam raspberry blueberry |
| substantivity : | > 400 hour(s) at 100.00 % |
| properties : | |
| appearence : | colorless to pale yellow clear oily liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.08000 - 1.10000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.987 to 9.153
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| refractive index : | 1.50000 - 1.52000 @ 20.00 °C.
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| boiling point : | 123.00 - 124.00 °C. @ 0.20 mm Hg
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| boiling point : | 140.00 °C. @ 1.00 mm Hg
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| logp : | 1.01 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 3038.00 mg/kg TXAPA9 31,421,1975
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >2025.00 gm/kg TXAPA9 31,421,1975
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| flash point ( Deg. F. ) : | 273.00 °F. TCC ( 133.89 °C. )
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| recommendation for raspberry ketone acetate usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for raspberry ketone acetate usage levels up to : |
| | 20.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 222-682-0 |
| rtecs : | EL8950000 for 3572-06-3 |
| chemidplus : | 003572063 |
| epa-srs : | 3572-06-3 |
| dtp/nci : | 39438 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 162084 |
| NIST Chemistry WebBook : | 1976891830 |
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