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| IUPAC name : | 3-methylsulfanylbutanal |
| InChI : | InChI=1/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3 |
| InChIKey : | NCBDFIPMWRKPDU-UHFFFAOYAL |
| SMILES : | CC(CC=O)SC |
| (EINECS) number : | 240-678-7 |
| cas number : | 16630-52-7 |
| fema number : | 3374 |
| coe number : | 11687 |
| jecfa number : | 467 |
| fl. number : | 12.056 |
| molar refractivity : | 33.35 ± 0.3 cm3 |
| parachor : | 287.9 ± 4.0 cm3 |
| index of refraction : | 1.455 ± 0.02 |
| surface tension : | 30.3 ± 3.0 dyne/cm |
| density : | 0.963 ± 0.06 g/cm3 |
| polarizability : | 13.22 ± 0.5 10-24cm3 |
| xlogp : | 1.50 |
| molecular weight : | 118.1973000 |
| formula : | C5 H10 O S |
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| IUPAC name : | (3R)-3-methylsulfanylbutanal |
| InChI : | InChI=1/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3/t5-/m1/s1 |
| InChIKey : | NCBDFIPMWRKPDU-RXMQYKEDBJ |
| SMILES : | C[C@H](CC=O)SC |
| cas number : | 16630-52-7 |
| molar refractivity : | 33.35 ± 0.3 cm3 |
| parachor : | 287.9 ± 4.0 cm3 |
| index of refraction : | 1.455 ± 0.02 |
| surface tension : | 30.3 ± 3.0 dyne/cm |
| density : | 0.963 ± 0.06 g/cm3 |
| polarizability : | 13.22 ± 0.5 10-24cm3 |
| xlogp : | 1.50 |
| molecular weight : | 118.1973000 |
| formula : | C5 H10 O S |
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| IUPAC name : | (3S)-3-methylsulfanylbutanal |
| InChI : | InChI=1/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3/t5-/m0/s1 |
| InChIKey : | NCBDFIPMWRKPDU-YFKPBYRVBR |
| SMILES : | C[C@@H](CC=O)SC |
| cas number : | 16630-52-7 |
| molar refractivity : | 33.35 ± 0.3 cm3 |
| parachor : | 287.9 ± 4.0 cm3 |
| index of refraction : | 1.455 ± 0.02 |
| surface tension : | 30.3 ± 3.0 dyne/cm |
| density : | 0.963 ± 0.06 g/cm3 |
| polarizability : | 13.22 ± 0.5 10-24cm3 |
| xlogp : | 1.50 |
| molecular weight : | 118.1973000 |
| formula : | C5 H10 O S |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | green |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | green musk buchu potato chip |
| taste description³ : | at 0.20 ppm.
Vegetative, tomato, fishy and sulfureous |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 96.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99800 - 0.99700 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.314 to 8.306
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| refractive index : | 1.47300 - 1.51700 @ 20.00 °C.
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| boiling point : | 63.00 - 65.00 °C. @ 10.00 mm Hg
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| boiling point : | 190.00 - 192.00 °C. @ 760.00 mm Hg
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| logp : | 1.05 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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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. ) : | 144.00 °F. TCC ( 62.22 °C. )
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| recommendation for potato butyraldehyde usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
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| recommendation for potato butyraldehyde usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 240-678-7 |
| chemidplus : | 016630527 |
| epa-srs : | 16630-52-7 |
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| chemidplus : | 16630-52-7 |
| epa-srs : | 16630-52-7 |
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| chemidplus : | 16630-52-7 |
| epa-srs : | 16630-52-7 |
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| other : | |
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| references : | |
| pubchem : | 198237 |
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| pubchem : | 43599207 |
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| pubchem : | 43765277 |
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| reference : | Mosciano, Gerard P&F 18, No. 3, 53, (1993)³ |