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| IUPAC name : | 2-(3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-yl acetate |
| InChI : | InChI=1/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h11-12,14H,6-10H2,1-5H3 |
| InChIKey : | DRFSOBZVMGLICQ-UHFFFAOYAW |
| SMILES : | CC1CCC(CC2=C1CCC2C)C(C)(C)OC(=O)C |
| (EINECS) number : | 205-135-0 |
| cas number : | 134-28-1 |
| coe number : | 10659 |
| fl. number : | 09.808 |
| molar refractivity : | 77.92 ± 0.4 cm3 |
| parachor : | 647.7 ± 6.0 cm3 |
| index of refraction : | 1.489 ± 0.03 |
| surface tension : | 33.3 ± 5.0 dyne/cm |
| density : | 0.98 ± 0.1 g/cm3 |
| polarizability : | 30.89 ± 0.5 10-24cm3 |
| xlogp : | 4.80 |
| molecular weight : | 264.4030200 |
| formula : | C17 H28 O2 |
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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-yl acetate |
| InChI : | InChI=1/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h11-12,14H,6-10H2,1-5H3/t11-,12-,14+/m0/s1 |
| InChIKey : | DRFSOBZVMGLICQ-SGMGOOAPBU |
| SMILES : | C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)OC(=O)C |
| cas number : | 134-28-1 |
| molar refractivity : | 77.92 ± 0.4 cm3 |
| parachor : | 647.7 ± 6.0 cm3 |
| index of refraction : | 1.489 ± 0.03 |
| surface tension : | 33.3 ± 5.0 dyne/cm |
| density : | 0.98 ± 0.1 g/cm3 |
| polarizability : | 30.89 ± 0.5 10-24cm3 |
| xlogp : | 4.80 |
| molecular weight : | 264.4030200 |
| formula : | C17 H28 O2 |
| BioActivity Analysis : | 99606 |
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| fda reg : | 172.515 |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | tea rose woody spicy green fatty |
| substantivity : | 332 Hour(s) |
| properties : | |
| appearence : | yellow viscous liquid |
| assay : | 70.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97500 - 0.98700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.113 to 8.213
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| specific gravity : | 0.97000 - 0.98500 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.081 to 8.206
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| refractive index : | 1.48900 - 1.49500 @ 20.00 °C.
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| boiling point : | 242.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 5.65 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for guaiyl acetate usage levels up to : | | | 10.0000 % in the fragrance concentrate.
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| recommendation for guaiyl acetate usage levels up to : | | | not for flavor use.
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| safety links : | |
| (EINECS) number : | 205-135-0 |
| chemidplus : | 000134281 |
| epa-srs : | 134-28-1 |
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| chemidplus : | 134-28-1 |
| epa-srs : | 134-28-1 |
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| other : | |
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| references : | |
| fl. number : | 09.808 |
| pubchem : | 197316 |
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| pubchem : | 134-28-1 |
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| synonyms : |
| 2-(3,8- | dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl) propan-2-yl acetate | | 1,4- | dimethyl-7-(alpha-hydroxyisopropyl)-delta9,10-octahydroazule | | | guai-1-en-11-ol acetate | | | guai-1(5)-en-11-ol acetate | | | guaiac acetate | | | guaiac wood acetate | | | guaiacwood acetate | | | guaiol acetate | | | guaiyl acetate | | | methyl octahydrodimethyl azulenyl ethyl acetate | | 1- | methyl-1-((3S,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl azulen-5-yl) ethyl acetate | | (3S,5R,8S)-alpha,alpha1,2,3,4,5,6,7,8- | octahydro-,3,8-tetramethyl-5-azulene methanol | | | octahydroazulene acetate |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) used in : |
| | almond | | | amber | | | animal | | | apricot | | | balsam | | | cedarwood | | | crepe de chine | | | currant | | | cyclamen | | | fixer | | | floral | | | green | | | guaiacwood | | | incense | | | jasmin | | | jonquil narcissus jonquilla | | | juniperberry | | | lilac lilas syringa | | | lily | | | modifier | | | muguet lily of the valley | | | oriental | | | orris iris | | | palmarosa | | | pineapple | | | plum | | | raspberry | | | reseda mignonette | | | rose | | | rose tea rose | | | rose white rose | | | rounding off | | | smoke | | | spice | | | vetiver | | | violet | | | woody |
| natural occurrence in : |
| not found in nature |
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