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| IUPAC name : | 1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene |
| InChI : | InChI=1/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3 |
| InChIKey : | ADIDQIZBYUABQK-UHFFFAOYAS |
| SMILES : | CC1CCC(CC2=C1CCC2C)C(=C)C |
| cas number : | 3691-12-1 |
| coe number : | 11003 |
| fl. number : | 01.023 |
| molar refractivity : | 66.33 ± 0.4 cm3 |
| parachor : | 531.2 ± 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 : | 26.29 ± 0.5 10-24cm3 |
| xlogp : | 3.70 |
| molecular weight : | 204.3510600 |
| formula : | C15 H24 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet woody balsam peppery |
| properties : | |
| assay : | 92.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 281.00 - 282.00 °C. @ 760.00 mm Hg
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| logp : | 6.58 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 232.00 °F. TCC ( 111.11 °C. )
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| recommendation for alpha-guaiene usage levels up to : | | | 2.0000 % in the fragrance concentrate.
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| safety links : | |
| chemidplus : | 003691121 |
| epa-srs : | 3691-12-1 |
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| other : | |
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| references : | |
| pubchem : | 684355 |
| NIST Chemistry WebBook : | 379829807 |
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| synonyms : |
| 2,8- | dimethyl-5-isopropenyl bicyclo(5.3.0)dec-1(7)-ene | | 1,4- | dimethyl-7-isopropenyl-delta-9,10-octahydroazulene | | | guaia-1(5),11-diene | | 1(5),11- | guaiadiene | | (-)-alpha- | guaiene | | alpha- | guaiene | | (1S-(1.alpha.,4.alpha.,7.alpha.))-1,2,3,4,5,6,7,8- | octahydro-1,4-dimethyl-7-(1-methyl ethenyl) azulene | | (1S,4S,7R)-1,2,3,4,5,6,7,8- | octahydro-1,4-dimethyl-7-(1-methyl ethenyl) azulene |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) used in : |
| | guaiacwood |
| natural occurrence in : |
| data page | agarwood oil @ 0.10% |
| data page | armoise oil morocco @ 3.1% |
| data page | basil absolute sweet @ 0.20% |
| data page | callitris intratropica wood oil australia @ 0.60% |
| data page | cassinia laevis flower oil australia @ 0.30% |
| data page | cassinia laevis leaf oil australia @ 0.50% |
| data page | eucalyptus globulus bud oil @ 0.29% |
| data page | eucalyptus globulus fruit oil @ 0.39% |
| data page | galangal root oil @ 0.72% |
| data page | geranium oil rwanda @ 0.45% |
| data page | geranium rose-scented oil (pelargonium spp.) cuba @ 7.20% |
| data page | hinoki root oil @ 0.39% |
| data page | hinoki wood oil @ 0.12% |
| data page | laurel leaf oil turkey @ 0.10% |
| data page | mandarin oil uruguay @ trace% |
| data page | patchouli oil china @ 8.82% |
| data page | pepper oil black india @ 0.10% |
| data page | pinus sylvestris l. needle oil estonia @ 0.10% |
| data page | rose oil otto bulgaria @ 0.50% |
| data page | sage oil dalmatian @ 0.10% |
| data page | wormseed oil spain @ 0.24% |
| data page | wormwood oil annus france @ 2.24-14.73% |
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