| IUPAC name : | 3-acetylsulfanylhexyl acetate |
| InChI : | InChI=1/C10H18O3S/c1-4-5-10(14-9(3)12)6-7-13-8(2)11/h10H,4-7H2,1-3H3 |
| InChIKey : | GSJSVAFGVJLTNQ-UHFFFAOYAN |
| SMILES : | CCCC(CCOC(=O)C)SC(=O)C |
| cas number : | 136954-25-1 |
| fema number : | 3816 |
| jecfa number : | 494 |
| fl. number : | 12.278 |
| xlogp : | 2.20 |
| molecular weight : | 218.3131200 |
| formula : | C10 H18 O3 S |
| |
| |
| fda reg. : | |
| organoleptics : | |
| odor type : | sulfurous |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | sulfury metallic buchu catty sweet fruity tropical |
| taste description³ : | at 0.05 - 1.00 ppm.
Sulfurous, juicy, tropical fruit with fuzzy guava and passion fruit notes. Savory boiled egg and cooked onion |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03500 - 1.04000 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.612 to 8.654
|
| refractive index : | 1.46800 - 1.47500 @ 20.00 °C.
|
| boiling point : | 212.00 °C. @ 760.00 mm Hg
|
| logp : | 2.62 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 257.00 °F. TCC ( 125.00 °C. )
|
| | |
| recommendation for passiflora acetate usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
|
| | |
| recommendation for passiflora acetate usage levels up to : |
| | 1.0000 ppm in the flavor.
|
| | |
| safety links : | |
| chemidplus : | 136954-25-1 |
| epa-srs : | 136954-25-1 |
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| other : | |
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| references : | |
| pubchem : | 30091772 |
| | |
| reference : | Mosciano, Gerard P&F 25, No. 4, 71, (2000)³ |