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| IUPAC name : | 2-propan-2-ylsulfanylpropane |
| InChI : | InChI=1/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3 |
| InChIKey : | XYWDPYKBIRQXQS-UHFFFAOYAP |
| SMILES : | CC(C)SC(C)C |
| (EINECS) number : | 210-911-7 |
| cas number : | 625-80-9 |
| coe number : | 542 |
| fl. number : | 12.016 |
| molar refractivity : | 37.76 ± 0.3 cm3 |
| parachor : | 316.2 ± 4.0 cm3 |
| index of refraction : | 1.443 ± 0.02 |
| surface tension : | 24.4 ± 3.0 dyne/cm |
| density : | 0.830 ± 0.06 g/cm3 |
| polarizability : | 14.96 ± 0.5 10-24cm3 |
| xlogp : | 2.60 |
| molecular weight : | 118.2403600 |
| formula : | C6 H14 S |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | sulfurous |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | sulfury vegetable garlic |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 92.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.81000 - 0.81800 @ 20.00 °C.
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| pounds per gallon - calc. : | 6.748 to 6.815
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| refractive index : | 1.43500 - 1.44200 @ 20.00 °C.
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| boiling point : | 121.00 - 122.00 °C. @ 760.00 mm Hg
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| boiling point : | 120.00 °C. @ 763.00 mm Hg
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| logp : | 2.65 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 45.00 °F. TCC ( 7.22 °C. )
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| recommendation for diisopropyl sulfide usage levels up to : |
| | not for fragrance use.
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| safety links : | |
| (EINECS) number : | 210-911-7 |
| chemidplus : | 000625809 |
| epa-srs : | 625-80-9 |
| dtp/nci : | 75121 |
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| other : | |
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| references : | |
| fl. number : | 12.016 |
| pubchem : | 155585 |
| NIST Chemistry WebBook : | 3254607366 |
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