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| IUPAC name : | 3,7-dimethylocta-1,3,6-triene |
| InChI : | InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3 |
| InChIKey : | IHPKGUQCSIINRJ-UHFFFAOYAG |
| SMILES : | CC(=CCC=C(C)C=C)C |
| (EINECS) number : | 237-641-2 |
| cas number : | 13877-91-3 |
| fema number : | 3539 |
| coe number : | 11015 |
| jecfa number : | 1338 |
| fl. number : | 01.018 |
| molar refractivity : | 47.90 ± 0.3 cm3 |
| parachor : | 385.7 ± 4.0 cm3 |
| index of refraction : | 1.458 ± 0.02 |
| surface tension : | 23.3 ± 3.0 dyne/cm |
| density : | 0.776 ± 0.06 g/cm3 |
| polarizability : | 18.99 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 136.2340400 |
| formula : | C10 H16 |
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| IUPAC name : | (3Z)-3,7-dimethylocta-1,3,6-triene |
| InChI : | InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8- |
| InChIKey : | IHPKGUQCSIINRJ-NTMALXAHBW |
| SMILES : | CC(=CC\C=C(\C)/C=C)C |
| (EINECS) number : | 222-081-3 |
| cas number : | 3338-55-4 |
| fema number : | 3539 |
| coe number : | 11015 |
| fl. number : | 01.064 |
| molar refractivity : | 47.90 ± 0.3 cm3 |
| parachor : | 385.7 ± 4.0 cm3 |
| index of refraction : | 1.458 ± 0.02 |
| surface tension : | 23.3 ± 3.0 dyne/cm |
| density : | 0.776 ± 0.06 g/cm3 |
| polarizability : | 18.99 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 136.2340400 |
| formula : | C10 H16 |
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| IUPAC name : | (3E)-3,7-dimethylocta-1,3,6-triene |
| InChI : | InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+ |
| InChIKey : | IHPKGUQCSIINRJ-CSKARUKUBC |
| SMILES : | CC(=CC\C=C(/C)\C=C)C |
| (EINECS) number : | 223-241-5 |
| cas number : | 3779-61-1 |
| fema number : | 3539 |
| molar refractivity : | 47.90 ± 0.3 cm3 |
| parachor : | 385.7 ± 4.0 cm3 |
| index of refraction : | 1.458 ± 0.02 |
| surface tension : | 23.3 ± 3.0 dyne/cm |
| density : | 0.776 ± 0.06 g/cm3 |
| polarizability : | 18.99 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 136.2340400 |
| formula : | C10 H16 |
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| fda reg : | 172.515 |
h. number : | 2901.29.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | citrus tropical green terpene woody green |
| taste description³ : | at 40.00 ppm.
Green, tropical, woody with floral and vegateble nuances |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 90.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.79600 - 0.80400 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.624 to 6.690
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| refractive index : | 1.48400 - 1.49200 @ 20.00 °C.
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| boiling point : | 174.00 - 175.00 °C. @ 760.00 mm Hg
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| logp : | 4.70 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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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. ) : | 132.80 °F. TCC ( 56.00 °C. )
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| recommendation for beta-ocimene usage levels up to : |
| | 25.0000 % in the fragrance concentrate.
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| recommendation for beta-ocimene usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 237-641-2 |
| chemidplus : | 13877-91-3 |
| epa-srs : | 13877-91-3 |
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| (EINECS) number : | 222-081-3 |
| chemidplus : | 003338554 |
| epa-srs : | 3338-55-4 |
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| (EINECS) number : | 223-241-5 |
| chemidplus : | 013877913 |
| epa-srs : | 3779-61-1 |
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| other : | |
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| references : | |
| pubchem : | 29286396 |
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| pubchem : | 161742 |
| NIST Chemistry WebBook : | 895027364 |
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| pubchem : | 169056 |
| NIST Chemistry WebBook : | 60136743 |
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| reference : | Mosciano, Gerard P&F 15, No. 2, 69, (1990)³ |