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| IUPAC name : | 4,4a-dimethyl-6-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one |
| InChI : | InChI=1/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h11-13H,1,5-9H2,2-4H3 |
| InChIKey : | NMALGKNZYKRHCE-UHFFFAOYAN |
| SMILES : | CC1CC(=O)CC2C1(CC(CC2)C(=C)C)C |
| cas number : | 20489-53-6 |
| fema number : | 3776 |
| jecfa number : | 1407 |
| fl. number : | 07.153 |
| molar refractivity : | 66.99 ± 0.3 cm3 |
| parachor : | 552.5 ± 6.0 cm3 |
| index of refraction : | 1.481 ± 0.02 |
| surface tension : | 30.4 ± 3.0 dyne/cm |
| density : | 0.936 ± 0.06 g/cm3 |
| polarizability : | 26.55 ± 0.5 10-24cm3 |
| XlogP : | 4.60 |
| molecular weight : | 220.3504600 (IUPAC) |
| formula : | C15 H24 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| AROMOR : | DIHYDRONOOTKATONE
NATURE-IDENTICAL (KOSHER)
Odor: FRUITY, CITRUS LIKE AROMA WITH THE CHARACTERISTIC NOTE OF GRAPEFRUIT
IN FLAVORS AND FRAGRANCES. |
| Penta : | dihydronootkatone
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organoleptics :
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| odor type : | citrus |
| odor strength : | medium |
odor description:
at 100.00 %. | citrus fruit grapefruit |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 90.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98000 to 0.99000 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.164 to 8.247
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| specific gravity : | 0.97500 to 0.98800 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.113 to 8.221
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| refractive index : | 1.50200 to 1.51000 @ 20.00 °C.
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| boiling point : | 298.00 to 299.00 °C. @ 760.00 mm Hg
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| boiling point : | 100.00 to 104.00 °C. @ 0.07 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 4.35 |
safety :
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| Oral Toxicity(LD50) : | |
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Oral-Rat >5.00 ml/kg
(Sedlacek, 1985)
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavoring agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.60 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.90 (μg/capita/day) |
| Structure Class : | II |
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| recommendation for dihydronootkatone fragrance usage levels up to : |
| | not for fragrance use.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
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4,4a-dimethyl-6-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one |
| chemidplus : | 020489536 |
| EPA Substance Registry Services : | 20489-53-6 |
references :
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4,4a-dimethyl-6-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one |
| fl. number : | 07.153 |
| jecfa number : | 1407 |
| NIST Chemistry WebBook : | 2828566885 |
| pubchem : | 10512966 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |