| 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 (IUPAC) |
| formula : | C10 H18 O3 S |
| NMR Predictor : | Predict |
| |
| |
Suppliers :
|
| Frutarom : | 3-(ACETYLTHIO)HEXYL ACETATE
≥98.00%, NI, Kosher
Odor: Green, Spicy, Sweet, Tropical, Vegetable, Waxy |
| Penta : | 3-acetyl thiohexyl acetate
|
| Symrise : | Passifloran
|
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 |
properties :
|
| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03500 to 1.04000 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.612 to 8.654
|
| refractive index : | 1.46800 to 1.47500 @ 20.00 °C.
|
| boiling point : | 212.00 °C. @ 760.00 mm Hg
|
| vapor density : | 7.52 ( Air = 1 ) |
| flash point : | 257.00 °F. TCC ( 125.00 °C. )
|
| logP (o/w) : | 2.62 |
safety :
|
| most important hazard(s) : | Xi - Irritant |
| |
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
|
| Oral Toxicity(LD50) : |
| |
Not determined
|
| Dermal Toxicity(LD50) : |
| |
Not determined
|
| Inhalation Toxicity(LC50) : |
| |
Not determined
|
| |
safety in use :
|
| |
| 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 references :
|
| EPI System : | view |
| |
| WGK Germany : | 3 |
| |
| |
| |
| | 3-acetylsulfanylhexyl acetate
|
| chemidplus : | 136954-25-1 |
| EPA Substance Registry Services : | 136954-25-1 |
references :
|
| | 3-acetylsulfanylhexyl acetate
|
| fl. number : | 12.278 |
| jecfa number : | 494 |
| pubchem : | 30091772 |
other :
|
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |