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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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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 butanoate |
| InChI : | InChI=1/C19H32O2/c1-6-7-18(20)21-19(4,5)15-10-8-13(2)16-11-9-14(3)17(16)12-15/h13-15H,6-12H2,1-5H3/t13-,14-,15+/m0/s1 |
| InChIKey : | FZRQHSNXHSRRMX-SOUVJXGZBQ |
| SMILES : | CCCC(=O)OC(C)(C)[C@@H]1CC[C@@H](C2=C(C1)[C@H](CC2)C)C |
| (EINECS) number : | 277-213-2 |
| cas number : | 73003-91-5 |
| molar refractivity : | 87.18 ± 0.4 cm3 |
| parachor : | 727.9 ± 6.0 cm3 |
| index of refraction : | 1.488 ± 0.03 |
| surface tension : | 33.7 ± 5.0 dyne/cm |
| density : | 0.96 ± 0.1 g/cm3 |
| polarizability : | 34.56 ± 0.5 10-24cm3 |
| xlogp : | 5.60 |
| molecular weight : | 292.4561800 |
| formula : | C19 H32 O2 |
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| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | rose plum animal balsamic woody |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99000 @ 25.00 °C.
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| refractive index : | 1.49500 @ 25.00 °C.
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| boiling point : | 315.00 °C. @ 760.00 mm Hg
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| logp : | 6.71 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 219.00 °F. TCC ( 103.89 °C. )
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| recommendation for guaiyl butyrate usage levels up to : | | | 8.0000 % in the fragrance concentrate.
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| recommendation for guaiyl butyrate usage levels up to : | | | not for flavor use.
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| safety links : | |
| (EINECS) number : | 277-213-2 |
| chemidplus : | 073003915 |
| epa-srs : | 73003-91-5 |
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| other : | |
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| references : | |
| pubchem : | 752608 |
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| synonyms : |
| | butanoic acid 1-methyl-1-((3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl) ethyl ester | | 2-((3S,5R,8S)-3,8- | dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl) propan-2-yl butanoate | | | guaiol butyrate | | | guaiyl butyrate | | (3S-(3alpha,5alpha,8alpha))-1- | methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl azulen-5-yl) ethyl butyrate |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| | anisyl formate |
| | dimethyl anthranilate |
| | rose butanoate |
| (odor and/or flavor) used in : |
| | animal | | | birch tar | | | castoreum | | | civet | | | date | | | heather | | | leather | | | plum | | | tobacco tabac tabaco leaf |
| natural occurrence in : |
| not found in nature |
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