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| IUPAC name : | [(Z)-oct-3-enyl] propanoate |
| InChI : | InChI=1/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7- |
| InChIKey : | NTQOADMSKSBQCI-FPLPWBNLBX |
| SMILES : | CCC(=O)OCC/C=C\CCCC |
| (EINECS) number : | 302-769-0 |
| cas number : | 94134-03-9 |
| fema number : | 4189 |
| jecfa number : | 1628 |
| molar refractivity : | 54.84 ± 0.3 cm3 |
| parachor : | 481.7 ± 4.0 cm3 |
| index of refraction : | 1.442 ± 0.02 |
| surface tension : | 29.2 ± 3.0 dyne/cm |
| density : | 0.889 ± 0.06 g/cm3 |
| polarizability : | 21.74 ± 0.5 10-24cm3 |
| xlogp : | 3.60 |
| molecular weight : | 184.2753000 |
| formula : | C11 H20 O2 |
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| IUPAC name : | [(E)-oct-3-enyl] propanoate |
| InChI : | InChI=1/C11H20O2/c1-3-5-6-7-8-9-10-13-11(12)4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+ |
| InChIKey : | NTQOADMSKSBQCI-BQYQJAHWBR |
| SMILES : | CCCC\C=C\CCOC(=O)CC |
| cas number : | 94134-03-9 (E) |
| % from : | 2.00% |
| molar refractivity : | 54.84 ± 0.3 cm3 |
| parachor : | 481.7 ± 4.0 cm3 |
| index of refraction : | 1.442 ± 0.02 |
| surface tension : | 29.2 ± 3.0 dyne/cm |
| density : | 0.889 ± 0.06 g/cm3 |
| polarizability : | 21.74 ± 0.5 10-24cm3 |
| xlogp : | 3.60 |
| molecular weight : | 184.2753000 |
| formula : | C11 H20 O2 |
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| export tariff code : | 2915.50.3000 |
| fda reg : | unspecified |
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Suppliers :
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| Bedoukian Research : | PEARLATE
≥95.0%, Kosher |
organoleptics :
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| odor type : | fruity |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | pear honeydew melon |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 94.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88000 to 0.89000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.322 to 7.406
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| refractive index : | 1.43200 to 1.44200 @ 20.00 °C.
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| boiling point : | 1032.00 °C. @ 4.00 mm Hg
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| boiling point : | 237.00 to 238.00 °C. @ 760.00 mm Hg
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| logp : | 4.01 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 206.00 °F. TCC ( 96.67 °C. )
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| recommendation for (Z)-3-octen-1-yl propionate usage levels up to : |
| | 6.0000 % 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. |
| | average usual ppm | average maximum ppm |
| baked goods : | 0.50000 | 1.00000 |
| beverages(nonalcoholic) : | 0.50000 | 2.00000 |
| beverages(alcoholic) : | 0.50000 | 2.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | 5.00000 | 10.00000 |
| condiments / relishes : | 1.00000 | 3.00000 |
| confectionery froastings : | 5.00000 | 10.00000 |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 1.00000 | 5.00000 |
| fruit ices : | 1.00000 | 5.00000 |
| gelatins / puddings : | 0.50000 | 2.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 1.00000 | 5.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | 5.00000 | 10.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 1.00000 | 5.00000 |
| snack foods : | 1.00000 | 5.00000 |
| soft candy : | 5.00000 | 10.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
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| | [(Z)-oct-3-enyl] propanoate
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| (EINECS) number : | 302-769-0 |
| chemidplus : | 094134039 |
| EPA Substance Registry Services : | 94134-03-9 |
| NLM Chemical Carcinogenesis Research Information System : | 94134-03-9 |
| NLM Developmental and Reproductive Toxicity : | 94134-03-9 |
| NLM Env. Mutagen Info. Center : | 94134-03-9 |
| NLM GENetic TOXicology : | 94134-03-9 |
| | [(E)-oct-3-enyl] propanoate
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references :
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| | [(Z)-oct-3-enyl] propanoate
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| jecfa number : | 1628 |
| pubchem : | 3797064 |
| | [(E)-oct-3-enyl] propanoate
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| pubchem : | 3797023 |
other :
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