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| IUPAC name : | 6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one |
| InChI : | InChI=1/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3 |
| InChIKey : | HEKJOMVJRYMUDB-UHFFFAOYAM |
| SMILES : | CC(C)C1CCC2CC(=O)CCC2C1 |
| cas number : | 34131-98-1 |
| (EINECS) number : | 251-840-1 |
| molar refractivity : | 58.13 ± 0.3 cm3 |
| parachor : | 488.7 ± 6.0 cm3 |
| index of refraction : | 1.473 ± 0.02 |
| surface tension : | 31.0 ± 3.0 dyne/cm |
| density : | 0.938 ± 0.06 g/cm3 |
| polarizability : | 23.05 ± 0.5 10-24cm3 |
| XlogP : | 4.30 |
| molecular weight : | 194.3131800 (IUPAC) |
| formula : | C13 H22 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Givaudan : | Decatone
Odor: Citrus, Woody, Fresh, Fruity |
| Penta : | decatone
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| Vigon : | Decatone
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organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description :¹ at 100.00 %. | gardenia green grapefruit rhubarb vetiver woody |
| odor sample from : | Givaudan Corporation |
| substantivity : | 140 Hour(s) |
properties :
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| appearence : | pale yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96000 @ 25.00 °C.
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| refractive index : | 1.48600 @ 20.00 °C.
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| boiling point : | 273.00 to 274.00 °C. @ 760.00 mm Hg
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| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 3.68 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 36 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : | | |
Oral-Rat 5000.00 mg/kg
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| Dermal Toxicity(LD50) : | | |
Skin-Rabbit 5000.00 mg/kg
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| Inhalation Toxicity(LC50) : | | |
Not determined
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safety in use :
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| recommendation for gardenia decalone usage levels up to : | | | 5.0000 % in the fragrance concentrate.
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| recommendation for gardenia decalone usage levels up to : | | | not for flavor use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | | |
| | 6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
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| (EINECS) number : | 251-840-1 |
| chemidplus : | 034131981 |
| EPA Substance Registry Services : | 34131-98-1 |
references :
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| | 6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
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| pubchem : | 694846 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1986)¹ |
| CosIng : | cosmetic data |
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synonyms :
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| | decatone | | 3,4,4a,5,6,7,8,8a- | octahydro-6-isopropyl naphthalene-2(1H)-one | | 6- | propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one | | 6-iso | propyl decalone | | iso | propyl octahydonaphthalenone | | 6-iso | propyl-2(1H)-octahydronaphthalenone | | 6-iso | propyl-3,4,4a,5,6,7,8,8a-octahydro-2(1H)-naphthalenone |
soluble in :
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| | alcohol | | | water, 32 mg/L @ 20C |
insoluble in :
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| | water |
(odor and/or flavor) blends with :
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| | acetyl cedrene |
| | aldehydes |
| | algae absolute |
| | allyl amyl glycolate |
| | allyl cyclohexyl propionate |
| iso | amyl benzoate |
| alpha- | amyl cinnamaldehyde |
| iso | amyl salicylate |
| para- | anisyl alcohol |
| | basil oil |
| | bay leaf oil |
| | benzyl acetate |
| | benzyl alcohol |
| | benzyl isobutyrate |
| | benzyl propionate |
| | benzyl salicylate |
| | blood orange oil |
| | bois de rose oil |
| iso | butyl salicylate |
| | caraway seed oil |
| | cinnamyl alcohol |
| | citronellol |
| | citronellyl acetate |
| | citrus carbaldehyde |
| | clary sage oil |
| | coriander seed oil |
| | cortex pyridine |
| para- | cresyl caprylate |
| | cyclamen aldehyde |
| | cyclohexyl ethyl alcohol |
| gamma- | decalactone |
| | dihydrojasmone |
| | dihydromyrcenol |
| | dimethyl anthranilate |
| | dimethyl benzyl carbinol |
| | dimethyl benzyl carbinyl butyrate |
| | dimethyl hydroquinone |
| | diphenyl oxide |
| | ethyl cinnamate |
| | ethyl laurate |
| | fennel seed oil |
| | floral pyranol |
| | fruity cyclopentanone |
| | galbanum oil |
| | geraniol |
| | geranyl acetate |
| | grapefruit pentanol |
| | green acetate |
| | heliotropyl acetone |
| (Z)-3- | hexen-1-ol |
| (Z)-3- | hexen-1-yl acetate |
| (Z)-3- | hexen-1-yl benzoate |
| (Z)-3- | hexen-1-yl formate |
| (Z)-3- | hexen-1-yl salicylate |
| (Z)-3- | hexen-1-yl tiglate |
| | hexyl 2-methyl butyrate |
| alpha- | hexyl cinnamaldehyde |
| | hexyl tiglate |
| | hyacinth ether |
| | ionones |
| 2,4- | ivy carbaldehyde |
| | leaf acetal |
| | leerall |
| | linalool |
| laevo- | linalool |
| | linalool oxide |
| | mandarin oil |
| | melon heptenal |
| | melon nonenoate |
| | methyl cedryl ketone |
| | methyl dihydrojasmonate |
| | methyl heptenone |
| | methyl jasmonate |
| | mimosa absolute |
| | muguet octadienol |
| | nerol |
| | nerolidol |
| | neryl acetate |
| (E,Z)-2,6- | nonadien-1-ol |
| (Z)-6- | nonen-1-al |
| | ocean propanal |
| (Z)-5- | octen-1-ol |
| | orris pyridine |
| | patchouli ethanone |
| | peony alcohol |
| | petitgrain oil |
| | phenethyl acetate |
| | phenethyl propionate |
| | phenyl acetaldehyde dimethyl acetal |
| 3- | phenyl propyl alcohol |
| | raspberry ketone methyl ether |
| | rhodinol |
| | rose butanoate |
| | rose oxides |
| | santall |
| | strawberry glycidate 1 |
| | styralyl acetate |
| alpha- | terpineol |
| | tetrahydrolinalool |
| | tetrahydromyrcenol |
| para- | tolyl acetate |
| para- | tolyl isobutyrate |
| para- | tolyl methyl ether |
| para- | tolyl phenyl acetate |
| | tuberose absolute |
| gamma- | undecalactone |
| | verbena oil |
| | violet leaf absolute |
| | violet methyl carbonate |
| | woody amylene |
| | ylang ylang oil |
(odor and/or flavor) used in :
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| | aldehydic | | | algae | | | angel | | | apple crabapple | | | apple green apple | | | arrack | | | artichoke | | | avocado | | | banana | | | bark | | | basil | | | bergamot | | | blossom tropical blossom | | | blue mist | | | bouquet | | | broccoli | | | carrot seed | | | celery | | | cherry blossom | | | christmas blends | | | citronella | | | citrus | | | clover trefle le'trefle incarnat | | | coconut tropical coconut | | | cucumber | | | curacao | | | daffodil narcissus | | | dill | | | dillenia | | | durian | | | earth humus | | | evergreen | | | fennel | | | fern fougere | | | fig | | | fir balsam | | | fir needle | | | fixer | | | floral | | | foliage | | | frangipanni plumeria | | | freesia | | | fruit tropical fruit | | | galbanum | | | gardenia | | | gooseberry | | | grapefruit | | | green | | | hibiscus | | | hyacinth jacinthe | | | iris blossom | | | ivy leaf | | | jackfruit | | | jasmin | | | juniperberry | | | kiwi | | | kumquat | | | leaf autumn leaf | | | leaf green leaf | | | lilac lilas syringa | | | lily | | | lily water lily | | | lotus | | | magnolia | | | mango blossom | | | marigold tagete | | | mimosa wattle | | | mulberry | | | narcissus narcisse | | | nectarine | | | orange | | | orange blossom fleur d'oranger | | | orchid | | | osmanthus | | | pansy | | | passion blossom | | | passion fruit | | | peach | | | pear prickly pear | | | petal flower petal | | | petunia | | | pina colada | | | pine | | | powder | | | redwood | | | rose wild rose | | | sherry | | | spearmint | | | stock evening scented stock | | | tea | | | tobasco | | | tomato | | | tropical | | | tulip | | | vegetable | | | vetiver | | | vine | | | wallflower giroflee | | | wasabi | | | weedy | | | woody | | | wormwood absinthium | | | ylang ylang cananga |
natural occurrence in :
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| not found in nature |
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