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| IUPAC name : | 3-methylbut-2-enyl acetate |
| InChI : | InChI=1/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3 |
| InChIKey : | XXIKYCPRDXIMQM-UHFFFAOYAR |
| SMILES : | CC(=CCOC(=O)C)C |
| (EINECS) number : | 214-730-4 |
| cas number : | 1191-16-8 |
| beilstein number : | 1746265 |
| fema number : | 4202 |
| coe number : | 11796 |
| fl. number : | 09.692 |
| molar refractivity : | 36.15 ± 0.3 cm3 |
| parachor : | 318.7 ± 4.0 cm3 |
| index of refraction : | 1.426 ± 0.02 |
| surface tension : | 26.1 ± 3.0 dyne/cm |
| density : | 0.909 ± 0.06 g/cm3 |
| polarizability : | 14.33 ± 0.5 10-24cm3 |
| xlogp : | 1.40 |
| molecular weight : | 128.1689800 |
| formula : | C7 H12 O2 |
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| fda reg : | unspecified |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description¹ : at 1.00 % in propylene glycol. | sweet fresh banana fruity jasmin ripe heliotrope balsam |
| taste description² : | at 30.00 ppm in water. sweet banana fruity ripe floral green |
| substantivity : | < 1 hour(s) at 100.00 % |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91400 - 0.92200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.605 to 7.672
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| specific gravity : | 0.91500 - 0.92300 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.623 to 7.689
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| refractive index : | 1.42700 - 1.43100 @ 20.00 °C.
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| boiling point : | 151.00 - 152.00 °C. @ 752.00 mm Hg
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| logp : | 2.07 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat 2900.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5000.00 mg/kg
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| flash point ( Deg. F. ) : | 121.00 °F. TCC ( 49.44 °C. )
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| recommendation for prenyl acetate usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| publication number : 22. |
| 4202 | average usual ppm | average maximum ppm |
| baked goods : | 10.00000 | 100.00000 |
| beverages(nonalcoholic) : | 0.30000 | 3.00000 |
| beverages(alcoholic) : | 1.50000 | 15.00000 |
| breakfast cereal : | 0.30000 | 1.50000 |
| cheese : | - | - |
| chewing gum : | 15.00000 | 100.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | 1.50000 | 10.00000 |
| egg products : | 1.50000 | 10.00000 |
| fats / oils : | 1.50000 | 10.00000 |
| fish products : | - | - |
| frozen dairy : | 6.00000 | 60.00000 |
| fruit ices : | 3.00000 | 30.00000 |
| gelatins / puddings : | 3.00000 | 30.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 5.00000 | 50.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | 0.60000 | 6.00000 |
| jams / jellies : | 3.00000 | 30.00000 |
| meat products : | - | - |
| milk products : | 0.60000 | 6.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 1.50000 | 15.00000 |
| snack foods : | - | - |
| soft candy : | 3.00000 | 30.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 214-730-4 |
| rtecs : | EM9473700 for 1191-16-8 |
| chemidplus : | 001191168 |
| epa-srs : | 1191-16-8 |
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| other : | |
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| references : | |
| fl. number : | 09.692 |
| pubchem : | 157763 |
| NIST Chemistry WebBook : | 3974971294 |
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| reference : | Luebke, William tgsc, (2006)¹ |
| reference : | Luebke, William tgsc, (2006)² |