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| IUPAC name : | (Z)-2-(methylsulfanylmethyl)but-2-enal |
| InChI : | InChI=1/C6H10OS/c1-3-6(4-7)5-8-2/h3-4H,5H2,1-2H3 |
| InChIKey : | IBSLHWQWKUNIJE-UHFFFAOYAG |
| SMILES : | O=C/C(=C/C)CSC |
| (EINECS) number : | 255-126-0 |
| cas number : | 40878-72-6 |
| fema number : | 3601 |
| coe number : | 11549 |
| jecfa number : | 470 |
| fl. number : | 12.079 |
| molar refractivity : | 37.93 ± 0.3 cm3 |
| parachor : | 313.7 ± 4.0 cm3 |
| index of refraction : | 1.485 ± 0.02 |
| surface tension : | 31.6 ± 3.0 dyne/cm |
| density : | 0.984 ± 0.06 g/cm3 |
| polarizability : | 15.03 ± 0.5 10-24cm3 |
| xlogp : | 1.50 |
| molecular weight : | 130.2080000 |
| formula : | C6 H10 O S |
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| IUPAC name : | (E)-2-(methylsulfanylmethyl)but-2-enal |
| InChI : | InChI=1/C6H10OS/c1-3-6(4-7)5-8-2/h3-4H,5H2,1-2H3/b6-3+ |
| SMILES : | O=C\C(=C/C)CSC |
| cas number : | 40878-72-6 |
| molar refractivity : | 37.93 ± 0.3 cm3 |
| parachor : | 313.7 ± 4.0 cm3 |
| index of refraction : | 1.485 ± 0.02 |
| surface tension : | 31.6 ± 3.0 dyne/cm |
| density : | 0.984 ± 0.06 g/cm3 |
| polarizability : | 15.03 ± 0.5 10-24cm3 |
| xlogp : | 1.50 |
| molecular weight : | 130.2080000 |
| formula : | C6 H10 O S |
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| IUPAC name : | (Z)-2-(methylsulfanylmethyl)but-2-enal |
| InChI : | InChI=1/C6H10OS/c1-3-6(4-7)5-8-2/h3-4H,5H2,1-2H3/b6-3- |
| InChIKey : | IBSLHWQWKUNIJE-UTCJRWHEBB |
| SMILES : | C\C=C(/CSC)\C=O |
| cas number : | 40878-72-6 |
| molar refractivity : | 37.93 ± 0.3 cm3 |
| parachor : | 313.7 ± 4.0 cm3 |
| index of refraction : | 1.485 ± 0.02 |
| surface tension : | 31.6 ± 3.0 dyne/cm |
| density : | 0.984 ± 0.06 g/cm3 |
| polarizability : | 15.03 ± 0.5 10-24cm3 |
| xlogp : | 1.50 |
| molecular weight : | 130.2080000 |
| formula : | C6 H10 O S |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | sulfurous |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | burnt matches cooked cabbage roasted onion |
| properties : | |
| appearence : | pale yellow clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| refractive index : | 1.52300 - 1.53300 @ 20.00 °C.
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| boiling point : | 77.00 °C. @ 5.00 mm Hg
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| logp : | 1.64 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 213.00 °F. TCC ( 100.56 °C. )
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| recommendation for 2-(methyl thio) methyl-2-butenal usage levels up to : |
| | not for fragrance use.
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| safety links : | |
| (EINECS) number : | 255-126-0 |
| chemidplus : | 040878726 |
| epa-srs : | 40878-72-6 |
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| chemidplus : | 40878-72-6 |
| epa-srs : | 40878-72-6 |
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| chemidplus : | 40878-72-6 |
| epa-srs : | 40878-72-6 |
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| other : | |
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| references : | |
| pubchem : | 205098 |
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| pubchem : | 43029156 |
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| pubchem : | 40878-72-6 |
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