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| IUPAC name : | 2-[(3R,5S,8R)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol |
| InChI : | InChI=1/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m1/s1 |
| InChIKey : | TWVJWDMOZJXUID-UTUOFQBUBX |
| SMILES : | C[C@@H]1CC[C@@H](CC2=C1CC[C@H]2C)C(C)(C)O |
| (EINECS) number : | 207-702-8 |
| cas number : | 489-86-1 |
| molar refractivity : | 68.33 ± 0.4 cm3 |
| parachor : | 559.1 ± 6.0 cm3 |
| index of refraction : | 1.502 ± 0.03 |
| surface tension : | 34.1 ± 3.0 dyne/cm |
| density : | 0.96 ± 0.1 g/cm3 |
| polarizability : | 27.09 ± 0.5 10-24cm3 |
| xlogp : | 4.00 |
| molecular weight : | 222.3663400 |
| formula : | C15 H26 O |
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| IUPAC name : | 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol |
| InChI : | InChI=1/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1 |
| InChIKey : | TWVJWDMOZJXUID-SDDRHHMPBW |
| SMILES : | C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)O |
| cas number : | 489-86-1 |
| molar refractivity : | 68.33 ± 0.4 cm3 |
| parachor : | 559.1 ± 6.0 cm3 |
| index of refraction : | 1.502 ± 0.03 |
| surface tension : | 34.1 ± 3.0 dyne/cm |
| density : | 0.96 ± 0.1 g/cm3 |
| polarizability : | 27.09 ± 0.5 10-24cm3 |
| xlogp : | 4.00 |
| molecular weight : | 222.3663400 |
| formula : | C15 H26 O |
| BioActivity Analysis : | 82678 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | woody |
| odor strength : | medium |
odor description :
at 100.00 %. | mild guaiacwood tea rose |
| properties : | |
| appearence : | white crystals |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 91.00 - 93.00 °C. @ 760.00 mm Hg
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| boiling point : | 309.00 - 310.00 °C. @ 760.00 mm Hg
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| logp : | 4.81 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 236.00 °F. TCC ( 113.33 °C. )
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| recommendation for (-)-guaiol usage levels up to : | | | 5.0000 % in the fragrance concentrate.
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| recommendation for (-)-guaiol usage levels up to : | | | not for flavor use.
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| safety links : | |
| (EINECS) number : | 207-702-8 |
| chemidplus : | 000489861 |
| epa-srs : | 489-86-1 |
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| chemidplus : | 489-86-1 |
| epa-srs : | 489-86-1 |
| dtp/nci : | 19941 |
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| other : | |
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| references : | |
| pubchem : | 214865 |
| NIST Chemistry WebBook : | 3057660487 |
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| pubchem : | 82678 |
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| synonyms : |
| | champaca camphor | | | champacol | | | guai-1(5)-en-11-ol | | | guaiac alcohol | | (-)- | guaiol | | | octahydro-3,8-dimethyl azulen-5-yl propan-2-ol | | 2-((3S,8S)-1,2,3,4,5,6,7,8- | octahydro-3,8-dimethyl azulen-5-yl) propan-2-ol | | (3S-(3alpha,5alpha,8alpha))-1,2,3,4,5,6,7,8- | octahydro-alpha,alpha,3,8-tetramethyl-5-azulenemethanol |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) used in : |
| | amber | | | balsam | | | guaiacwood | | | moss | | | oriental | | | rose tea rose | | | woody |
| natural occurrence in : |
| data page | ayou wood oil @ 3.40% |
| data page | bombycilaena erecta oil greece @ 0.20% |
| data page | cajuput oil vietnam @ 1.2% |
| data page | callitris columellaris wood oil australia @ 14.60% |
| data page | callitris glaucophylla wood oil australia @ 6.20% |
| data page | callitris intratropica wood oil australia @ 13.70% |
| data page | cascarilla bark oil @ trace% |
| data page | cassinia laevis flower oil australia @ 2.20% |
| data page | cassinia laevis leaf oil australia @ 1.30% |
| data page | cinnamomum fragrans baillon leaf oil madagascar @ 0.40% |
| data page | cubeb oil @ 0.06% |
| guaiacwood oil |
| data page | guaiacwood oil @ 26.78% |
| data page | helichrysum italicum oil america @ 1.65% |
| data page | ho leaf oil @ 0.02% |
| data page | parsley leaf oil cuba @ 0.28% |
| data page | pepper oil black india @ trace% |
| data page | sage oil england @ 3.30% |
| data page | tagete oil CO2 extract @ 0.28% |
| data page | zanthoxylum bracchyacanthum l. leaf oil australia @ 0.10% |
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