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| IUPAC name : | 3,7-dimethyloct-6-enyl (E)-2-methylbut-2-enoate |
| InChI : | InChI=1/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6+ |
| InChIKey : | UCFQYMKLDPWFHZ-MKMNVTDBBY |
| SMILES : | C\C=C(/C)\C(=O)OCCC(C)CCC=C(C)C |
| (EINECS) number : | 246-426-2 |
| cas number : | 24717-85-9 |
| fema number : | 4295 |
| jecfa number : | 1823 |
| fl. number : | 09.340 |
| molar refractivity : | 73.07 ± 0.3 cm3 |
| parachor : | 617.8 ± 4.0 cm3 |
| index of refraction : | 1.459 ± 0.02 |
| surface tension : | 28.7 ± 3.0 dyne/cm |
| density : | 0.893 ± 0.06 g/cm3 |
| polarizability : | 28.96 ± 0.5 10-24cm3 |
| xlogp : | 5.00 |
| molecular weight : | 238.3657400 |
| formula : | C15 H26 O2 |
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| IUPAC name : | 3,7-dimethyloct-6-enyl (Z)-2-methylbut-2-enoate |
| InChI : | InChI=1/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6- |
| InChIKey : | UCFQYMKLDPWFHZ-NSIKDUERBO |
| SMILES : | C\C=C(\C)/C(=O)OCCC(C)CCC=C(C)C |
| (EINECS) number : | 282-535-1 |
| cas number : | 84254-89-7 |
| fema number : | 4295 |
| molar refractivity : | 73.07 ± 0.3 cm3 |
| parachor : | 617.8 ± 4.0 cm3 |
| index of refraction : | 1.459 ± 0.02 |
| surface tension : | 28.7 ± 3.0 dyne/cm |
| density : | 0.893 ± 0.06 g/cm3 |
| polarizability : | 28.96 ± 0.5 10-24cm3 |
| xlogp : | 5.00 |
| molecular weight : | 238.3657400 |
| formula : | C15 H26 O2 |
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| export tariff code : | 2916.19.6000 |
| fda reg : | unspecified |
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Suppliers :
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| Bedoukian Research : | CITRONELLYL TIGLATE |
| | ≥95.0%, Kosher |
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| Sigma-Aldrich-SAFC : | Citronellyl tiglate |
| | ≥96%, mixture of isomers, Kosher |
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organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | rose fruity floral geranium leaf |
| substantivity : | 24 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89700 - 0.90700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.464 to 7.547
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| refractive index : | 1.46000 - 1.46900 @ 20.00 °C.
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| boiling point : | 144.00 - 145.00 °C. @ 9.00 mm Hg
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| boiling point : | 95.00 °C. @ 0.10 mm Hg
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| logp : | 5.97 |
safety :
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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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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for (E)-citronellyl tiglate usage levels up to : |
| | 9.0000 % 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 : 23. |
| 4295 | average usual ppm | average maximum ppm |
| baked goods : | 10.00000 | 50.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 5.00000 | 25.00000 |
| cheese : | 7.00000 | 35.00000 |
| chewing gum : | - | - |
| condiments / relishes : | 5.00000 | 25.00000 |
| confectionery froastings : | 10.00000 | 50.00000 |
| egg products : | - | - |
| fats / oils : | 5.00000 | 25.00000 |
| fish products : | 2.00000 | 10.00000 |
| frozen dairy : | 7.00000 | 35.00000 |
| fruit ices : | 10.00000 | 50.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | 20.00000 | 110.00000 |
| hard candy : | - | - |
| imitation dairy : | 7.00000 | 35.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | 20.00000 | 110.00000 |
| meat products : | 2.00000 | 10.00000 |
| milk products : | 7.00000 | 35.00000 |
| nut products : | - | - |
| other grains : | 5.00000 | 25.00000 |
| poultry : | 2.00000 | 10.00000 |
| processed fruits : | 7.00000 | 35.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 5.00000 | 25.00000 |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | 5.00000 | 25.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | 5.00000 | 25.00000 |
safety links :
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| (EINECS) number : | 246-426-2 |
| chemidplus : | 024717859 |
| epa-srs : | 24717-85-9 |
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| (EINECS) number : | 282-535-1 |
| chemidplus : | 84254-89-7 |
| epa-srs : | 84254-89-7 |
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other :
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references :
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| jecfa number : | 1823 |
| fl. number : | 09.340 |
| pubchem : | 667331 |
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| pubchem : | 10515423 |
| NIST Chemistry WebBook : | 430119433 |
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