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| IUPAC name : | S-butan-2-yl 3-methylbutanethioate |
| InChI : | InChI=1/C9H18OS/c1-5-8(4)11-9(10)6-7(2)3/h7-8H,5-6H2,1-4H3 |
| InChIKey : | MQAVHZCNCJTJJP-UHFFFAOYAM |
| SMILES : | CCC(C)SC(=O)CC(C)C |
| (EINECS) number : | 219-416-0 |
| cas number : | 2432-91-9 |
| fl. number : | 12.106 |
| molar refractivity : | 51.68 ± 0.3 cm3 |
| parachor : | 440.7 ± 4.0 cm3 |
| index of refraction : | 1.459 ± 0.02 |
| surface tension : | 29.6 ± 3.0 dyne/cm |
| density : | 0.922 ± 0.06 g/cm3 |
| polarizability : | 20.49 ± 0.5 10-24cm3 |
| xlogp : | 3.00 |
| molecular weight : | 174.3036200 |
| formula : | C9 H18 O S |
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| export tariff code : | 2915.60.0000 |
| fda reg : | unspecified |
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Suppliers :
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| Oxford Chemicals Ltd : | SEC-BUTYL THIOISOVALERATE |
| | ≥98.00%, Kosher |
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| Treatt : | sec-Butyl thioisovalerate |
| Treatt USA : | sec-Butyl thioisovalerate |
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organoleptics :
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| odor type : | green |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in dipropylene glycol. | spicy galbanum green |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89800 - 0.90600 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.481 to 7.548
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| refractive index : | 1.45200 - 1.45800 @ 20.00 °C.
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| boiling point : | 180.00 - 182.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 3.55 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 149.00 °F. TCC ( 65.00 °C. )
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| recommendation for S-sec-butyl thioisovalerate usage levels up to : |
| | not for fragrance use.
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safety links :
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| (EINECS) number : | 219-416-0 |
| chemidplus : | 002432919 |
| epa-srs : | 2432-91-9 |
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| EPI System : | Click here |
other :
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references :
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| fl. number : | 12.106 |
| pubchem : | 680300 |
| NIST Chemistry WebBook : | 1922906262 |
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