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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2-cyclohexyl-1,6-heptadien-3-one |
| InChI : | InChI=1/C13H20O/c1-3-4-10-13(14)11(2)12-8-6-5-7-9-12/h3,12H,1-2,4-10H2 |
| InChIKey : | WJWBVJLPGOYBGM-UHFFFAOYAS |
| SMILES : | O=C(CCC=C)C(=C)C1CCCCC1 |
| cas number : | 313973-37-4 |
| % from : | 10.00% |
| molar refractivity : | 59.33 ± 0.3 cm3 |
| parachor : | 498.8 ± 6.0 cm3 |
| index of refraction : | 1.475 ± 0.02 |
| surface tension : | 31.7 ± 3.0 dyne/cm |
| density : | 0.914 ± 0.06 g/cm3 |
| polarizability : | 23.52 ± 0.5 10-24cm3 |
| molecular weight : | 192.2973000 |
| formula : | C13 H20 O |
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| IUPAC name : | 3-(3-hydroxypropoxy)propan-1-ol |
| InChI : | InChI=1/C6H14O3/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2 |
| InChIKey : | SZXQTJUDPRGNJN-UHFFFAOYAD |
| SMILES : | C(CO)COCCCO |
| (EINECS) number : | 246-770-3 |
| cas number : | 25265-71-8 |
| % from : | 90.00% |
| molar refractivity : | 35.66 ± 0.3 cm3 |
| parachor : | 323.9 ± 4.0 cm3 |
| index of refraction : | 1.450 ± 0.02 |
| surface tension : | 39.8 ± 3.0 dyne/cm |
| density : | 1.040 ± 0.06 g/cm3 |
| polarizability : | 13.74 ± 0.5 10-24cm3 |
| xlogp : | -0.70 |
| molecular weight : | 134.1735600 |
| formula : | C6 H14 O3 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | green |
| odor strength : | high ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | green pineapple fruity undecatriene galbanum |
| substantivity : | 196 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 10.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| logp : | 3.52 |
| safety : | |
| most important hazard(s) : |
Xi N - Irritant, Dangerous for the environment. |
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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. ) : | 234.00 °F. TCC ( 112.22 °C. )
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| recommendation for pineapple heptadienone 10% usage levels up to : |
| | 2.5000 % in the fragrance concentrate.
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| recommendation for pineapple heptadienone 10% usage levels up to : |
| | not for flavor use.
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| safety links : | |
| chemidplus : | 313973374 |
| epa-srs : | 313973-37-4 |
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| (EINECS) number : | 246-770-3 |
| rtecs : | UB8765000 for 25265-71-8 |
| chemidplus : | 025265718 |
| epa-srs : | 25265-71-8 |
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| other : | |
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| references : | |
| pubchem : | 3820690 |
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| pubchem : | 174790 |
| NIST Chemistry WebBook : | 64881945 |
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