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| IUPAC name : | 2-[(2R,4aS)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol |
| InChI : | InChI=1/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15+/m1/s1 |
| InChIKey : | WMOPMQRJLLIEJV-DOMZBBRYBS |
| SMILES : | CC1=C2C[C@@H](CC[C@@]2(CCC1)C)C(C)(C)O |
| cas number : | 15051-81-7 |
| molar refractivity : | 68.39 ± 0.4 cm3 |
| parachor : | 559.5 ± 6.0 cm3 |
| index of refraction : | 1.505 ± 0.03 |
| surface tension : | 34.7 ± 5.0 dyne/cm |
| density : | 0.96 ± 0.1 g/cm3 |
| polarizability : | 27.11 ± 0.5 10-24cm3 |
| XlogP : | 4.00 |
| molecular weight : | 222.3663400 |
| formula : | C15 H26 O |
| 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 %. | sweet woody floral |
properties :
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| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 299.00 to 302.00 °C. @ 760.00 mm Hg
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| flash point : | 227.00 °F. TCC ( 108.33 °C. )
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| logP (o/w) : | 4.86 |
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 10-epi-gamma-eudesmol usage levels up to : | | | 3.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
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| | | |
| | 2-[(2R,4aS)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol
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| chemidplus : | 015051817 |
| EPA Substance Registry Services : | 15051-81-7 |
references :
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| | 2-[(2R,4aS)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol
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| NIST Chemistry WebBook : | 15051817 |
| pubchem : | 15051-81-7 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
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synonyms :
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| 2-[(2R,4aS)-4a,8- | dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol | | (2R-trans)-1,2,3,4,4a,5,6,7- | octahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalene methanol |
soluble in :
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| | alcohol | | | mineral oil | | | paraffin oil |
insoluble in :
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| | water |
natural occurrence in :
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| data page | amyris wood oil @ 10.90% |
| data page | callitris columellaris wood oil australia @ 0.20% |
| data page | callitris glaucophylla wood oil australia @ 0.30% |
| data page | callitris intratropica wood oil australia @ 0.40% |
| data page | cinnamon fruit oil india @ 0.4-0.5% |
| data page | citronella oil ceylon @ 0.23% |
| data page | citronella oil china @ 0.59% |
| data page | citronella oil java @ 0.17% |
| data page | clary sage oil greece @ trace% |
| data page | geranium leaf oil india @ 5.10% |
| data page | geranium oil rwanda @ 3.23% |
| data page | geranium petiole oil india @ 7.88% |
| data page | geranium stem oil india @ 2.46% |
| data page | guaiacwood oil @ 2.21% |
| data page | guava fruit oil reunion @ 0.10% |
| data page | helichrysum italicum oil america @ 0.11% |
| data page | laurel leaf oil turkey @ <0.10% |
| data page | laurel leaf oil turkey @ 0.30% |
| data page | lemongrass oil morocco @ 0.10% |
| data page | phoebe oil brazil @ 2.12% |
| data page | piper cernum vell. var. cernum yuncker leaf oil brazil @ 7.10% |
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