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| IUPAC name : | 2-(4-methyl-1-cyclohex-3-enyl)propane-2-thiol |
| InChI : | InChI=1/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3 |
| InChIKey : | ZQPCOAKGRYBBMR-UHFFFAOYAL |
| SMILES : | CC1=CCC(CC1)C(C)(C)S |
| (EINECS) number : | 275-223-1 |
| cas number : | 71159-90-5 |
| fema number : | 3700 |
| jecfa number : | 523 |
| fl. number : | 12.085 |
| molar refractivity : | 53.43 ± 0.3 cm3 |
| parachor : | 432.0 ± 6.0 cm3 |
| index of refraction : | 1.500 ± 0.02 |
| surface tension : | 32.1 ± 3.0 dyne/cm |
| density : | 0.938 ± 0.06 g/cm3 |
| polarizability : | 21.18 ± 0.5 10-24cm3 |
| xlogp : | 3.60 |
| molecular weight : | 170.3149200 |
| formula : | C10 H18 S |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | citrus |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | sulfury onion grapefruit garlic tropical woody |
| taste description³ : | at 20.00 ppm.
Grapefruit, fresh, tropical, juicy and mango |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 94.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.02800 - 1.03800 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.564 to 8.647
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| refractive index : | 1.43000 - 1.44000 @ 20.00 °C.
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| boiling point : | 37.00 °C. @ 0.10 mm Hg
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| boiling point : | 58.00 °C. @ 0.33 mm Hg
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| logp : | 4.20 |
| 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. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for 1-para-menthene-8-thiol usage levels up to : |
| | 0.1000 % in the fragrance concentrate.
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| recommendation for 1-para-menthene-8-thiol usage levels up to : |
| | 20.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 275-223-1 |
| chemidplus : | 71159-90-5 |
| epa-srs : | 71159-90-5 |
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| other : | |
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| references : | |
| pubchem : | 10533578 |
| NIST Chemistry WebBook : | 2251254324 |
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| reference : | Mosciano, Gerard P&F 23, No. 3, 55, (1998)³ |