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| IUPAC name : | (1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene |
| InChI : | InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1 |
| InChIKey : | WRHGORWNJGOVQY-RBSFLKMABI |
| SMILES : | CC1=C[C@H]2[C@H](CC1)C(=C)CC[C@@H]2C(C)C |
| cas number : | 39029-41-9 |
| molar refractivity : | 66.54 ± 0.4 cm3 |
| parachor : | 532.9 ± 6.0 cm3 |
| index of refraction : | 1.492 ± 0.03 |
| surface tension : | 29.2 ± 5.0 dyne/cm |
| density : | 0.89 ± 0.1 g/cm3 |
| polarizability : | 26.37 ± 0.5 10-24cm3 |
| XlogP : | 4.30 |
| XlogP3-AA : | 4.30 |
| molecular weight : | 204.3510600 (IUPAC) |
| formula : | C15 H24 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor strength : | medium |
odor description :
at 100.00 %. | herbal woody |
properties :
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| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 271.00 to 273.00 °C. @ 760.00 mm Hg
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| flash point : | 224.00 °F. TCC ( 106.67 °C. )
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| logP (o/w) : | 6.55 |
safety :
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| Oral Toxicity(LD50) : | | |
Not determined
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| Dermal Toxicity(LD50) : | | |
Not determined
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| Inhalation Toxicity(LC50) : | | |
Not determined
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safety in use :
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| recommendation for (R)-gamma-cadinene usage levels up to : | | | 1.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
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| | (1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
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| chemidplus : | 039029419 |
| EPA Substance Registry Services : | 39029-41-9 |
references :
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| | (1R,4aS,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
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| NIST Chemistry WebBook : | 39029419 |
| pubchem : | 669183 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| (1R,4aS,8aS)-7- | methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene | | (1alpha,4abeta,8aalpha)- 1,2,3,4,4a,5,6,8a- | octahydro-7-methyl-4-methylene-1-(1-methyl ethyl) naphthalene |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
(odor and/or flavor) blends with :
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| iso | amyl salicylate |
| | anise indene |
| 3- | benzyl-4-heptanone |
| iso | borneol |
| | bornyl 2-methyl butyrate |
| iso | bornyl acetate |
| | bornyl butyrate |
| beta- | bourbonene |
| delta- | cadinene |
| alpha- | cadinol |
| | camphene |
| (+)- | camphene |
| dextro- | camphor |
| | cinnamon acrolein |
| | cistus oil |
| | coriander oleoresin |
| | currant bud absolute black |
| iso | cyclocitral |
| | herbal undecanone |
| | immortelle flower oil |
| (Z)- | jasmone |
| | karo karounde absolute |
| | lavender flower oil lithuania |
| | lavender oil france |
| | lavender oil greece |
| | marine formate |
| | methyl hexyl ketone |
| para- | methyl hydratropaldehyde |
| 1- | methyl pyrrole |
| gamma- | muurolene |
| | nonisyl propionate |
| | parsley leaf oil |
| | patchouli indene |
| | pennyroyal oil |
| | petitgrain bigarade oil |
| | polylimonene |
| | prenyl salicylate |
| 4-iso | propyl-2-cyclohexenone |
| | spruce oil |
| | tansy leaf oil dutch |
| | tansy oil argentina |
| | tea leaf absolute |
| | thyme oil wild or creeping |
| | tricyclodecenyl propionate |
| | woody ketone |
natural occurrence in :
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| guava pineapple guava |
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