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| IUPAC name : | 3,7-dimethylocta-2,6-dienyl 2-phenylacetate |
| InChI : | InChI=1/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3 |
| InChIKey : | UXAIJXIHZDZMSK-UHFFFAOYAK |
| SMILES : | CC(=CCCC(=CCOC(=O)CC1=CC=CC=C1)C)C |
| cas number : | 71648-43-6 |
| fema number : | 2516 |
| molar refractivity : | 83.70 ± 0.3 cm3 |
| parachor : | 673.2 ± 4.0 cm3 |
| index of refraction : | 1.514 ± 0.02 |
| surface tension : | 34.5 ± 3.0 dyne/cm |
| density : | 0.981 ± 0.06 g/cm3 |
| polarizability : | 33.18 ± 0.5 10-24cm3 |
| xlogp : | 4.80 |
| molecular weight : | 272.3819600 |
| formula : | C18 H24 O2 |
| BioActivity Analysis : | 429825 |
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| IUPAC name : | [(2E)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate |
| InChI : | InChI=1/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12+ |
| InChIKey : | UXAIJXIHZDZMSK-FOWTUZBSBT |
| SMILES : | CC(=CCC/C(=C/COC(=O)CC1=CC=CC=C1)/C)C |
| (EINECS) number : | 203-014-7 |
| cas number : | 102-22-7 |
| beilstein number : | 5033401 |
| fema number : | 2516 |
| coe number : | 231 |
| jecfa number : | 1020 |
| fl. number : | 09.704 |
| molar refractivity : | 83.70 ± 0.3 cm3 |
| parachor : | 673.2 ± 4.0 cm3 |
| index of refraction : | 1.514 ± 0.02 |
| surface tension : | 34.5 ± 3.0 dyne/cm |
| density : | 0.981 ± 0.06 g/cm3 |
| polarizability : | 33.18 ± 0.5 10-24cm3 |
| xlogp : | 4.80 |
| molecular weight : | 272.3819600 |
| formula : | C18 H24 O2 |
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| IUPAC name : | [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate |
| InChI : | InChI=1/C18H24O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-12H,7,9,13-14H2,1-3H3/b16-12- |
| InChIKey : | UXAIJXIHZDZMSK-VBKFSLOCBN |
| SMILES : | CC(=CCC/C(=C\COC(=O)CC1=CC=CC=C1)/C)C |
| (EINECS) number : | 234-069-5 |
| cas number : | 10522-32-4 |
| molar refractivity : | 83.70 ± 0.3 cm3 |
| parachor : | 673.2 ± 4.0 cm3 |
| index of refraction : | 1.514 ± 0.02 |
| surface tension : | 34.5 ± 3.0 dyne/cm |
| density : | 0.981 ± 0.06 g/cm3 |
| polarizability : | 33.18 ± 0.5 10-24cm3 |
| xlogp : | 4.80 |
| molecular weight : | 272.3819600 |
| formula : | C18 H24 O2 |
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| fda reg : | unspecified |
h. number : | 2916.35.1500 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | floral powdery honey rose sweet dried |
| taste description³ : | at 35.00 ppm. Floral, rosy, honey and green with fatty, fruity nuances |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | yellowish clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.97100 - 0.97800 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.080 to 8.138
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| refractive index : | 1.50900 - 1.51100 @ 20.00 °C.
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| boiling point : | 278.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 5.92 |
| safety : | |
| 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 geranyl phenyl acetate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for geranyl phenyl acetate usage levels up to : |
| | 35.0000 ppm in the flavor.
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| safety links : | |
| chemidplus : | 71648-43-6 |
| epa-srs : | 71648-43-6 |
| dtp/nci : | 147477 |
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| (EINECS) number : | 203-014-7 |
| rtecs : | CY1595900 for 102-22-7 |
| chemidplus : | 000102227 |
| epa-srs : | 102-22-7 |
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| (EINECS) number : | 234-069-5 |
| chemidplus : | 010522324 |
| epa-srs : | 10522-32-4 |
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| other : | |
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| references : | |
| pubchem : | 99608 |
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| jecfa number : | 1020 |
| fl. number : | 09.704 |
| pubchem : | 197221 |
| NIST Chemistry WebBook : | 1813808957 |
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| pubchem : | 659609 |
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| reference : | Mosciano, Gerard P&F 23, No. 3, 55, (1998)³ |