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| IUPAC name : | hept-1-en-3-ol |
| InChI : | InChI=1/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3 |
| InChIKey : | PZKFYTOLVRCMOA-UHFFFAOYAW |
| SMILES : | CCCCC(C=C)O |
| (EINECS) number : | 225-579-9 |
| cas number : | 4938-52-7 |
| beilstein number : | 1720340 |
| fema number : | 4129 |
| coe number : | 10218 |
| jecfa number : | 1842 |
| fl. number : | 02.155 |
| molar refractivity : | 35.69 ± 0.3 cm3 |
| parachor : | 313.7 ± 4.0 cm3 |
| index of refraction : | 1.434 ± 0.02 |
| surface tension : | 27.4 ± 3.0 dyne/cm |
| density : | 0.833 ± 0.06 g/cm3 |
| polarizability : | 14.15 ± 0.5 10-24cm3 |
| xlogp : | 2.10 |
| molecular weight : | 114.1854600 |
| formula : | C7 H14 O |
| BioActivity Analysis : | 399388 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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| odor type : | green |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description¹ : at 1.00 % in dipropylene glycol. | oily green metallic acrylate tomato spicy |
| taste description² : | at 1.00 ppm in water. sweet green plastic metallic weedy |
| substantivity : | < 1 hour(s) at 1.00 % in propylene glycol |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.83200 - 0.83800 @ 20.00 °C.
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| pounds per gallon - calc. : | 6.931 to 6.981
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| refractive index : | 1.43000 - 1.43500 @ 20.00 °C.
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| boiling point : | 153.00 - 155.00 °C. @ 760.00 mm Hg
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| logp : | 2.11 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
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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. ) : | 129.00 °F. TCC ( 53.89 °C. )
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| recommendation for 1-hepten-3-ol usage levels up to : |
| | 0.1000 % 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. |
| 4129 | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | 0.05000 | 0.10000 |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | 0.10000 | 0.20000 |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 0.10000 | 0.20000 |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | 0.05000 | 0.10000 |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 0.50000 | 0.80000 |
| snack foods : | 0.05000 | 0.10000 |
| soft candy : | - | - |
| soups : | 0.05000 | 0.10000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety links :
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| (EINECS) number : | 225-579-9 |
| chemidplus : | 004938527 |
| epa-srs : | 4938-52-7 |
| dtp/nci : | 93797 |
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other :
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references :
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| jecfa number : | 1842 |
| fl. number : | 02.155 |
| pubchem : | 163833 |
| NIST Chemistry WebBook : | 1354262235 |
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| reference : | Luebke, William tgsc, (2006)¹ |
| reference : | Luebke, William tgsc, (2006)² |