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| IUPAC name : | phenylmethyl hexanoate |
| InChI : | InChI=1/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3 |
| InChIKey : | HRSXWUSONDBHSP-UHFFFAOYAB |
| SMILES : | CCCCCC(=O)OCC1=CC=CC=C1 |
| (EINECS) number : | 230-068-9 |
| cas number : | 6938-45-0 |
| fema number : | 4026 |
| coe number : | 10521 |
| fl. number : | 09.316 |
| molar refractivity : | 60.74 ± 0.3 cm3 |
| parachor : | 507.5 ± 4.0 cm3 |
| index of refraction : | 1.495 ± 0.02 |
| surface tension : | 35.2 ± 3.0 dyne/cm |
| density : | 0.990 ± 0.06 g/cm3 |
| polarizability : | 24.07 ± 0.5 10-24cm3 |
| xlogp : | 3.90 |
| molecular weight : | 206.2808200 |
| formula : | C13 H18 O2 |
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| fda reg : | unspecified |
h. number : | 2915.90.0000 |
| organoleptics : | |
| odor strength : | medium |
odor description :
at 100.00 %. | green apricot fruity gardenia jasmin |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97800 - 0.98500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.138 to 8.196
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| refractive index : | 1.48600 - 1.49200 @ 20.00 °C.
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| boiling point : | 274.00 - 275.00 °C. @ 760.00 mm Hg
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| logp : | 4.05 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 221.00 °F. TCC ( 105.00 °C. )
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| recommendation for benzyl hexanoate usage levels up to : |
| | 8.0000 % 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 : 21. |
| 4026 | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | 1.00000 | 5.00000 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | 1.00000 | 5.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 230-068-9 |
| chemidplus : | 006938450 |
| epa-srs : | 6938-45-0 |
| dtp/nci : | 53964) |
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| other : | |
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| references : | |
| fl. number : | 09.316 |
| pubchem : | 165943 |
| NIST Chemistry WebBook : | 1250413461 |
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