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| IUPAC name : | heptane-1-thiol |
| InChI : | InChI=1/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 |
| InChIKey : | VPIAKHNXCOTPAY-UHFFFAOYAK |
| SMILES : | CCCCCCCS |
| (EINECS) number : | 216-678-8 |
| cas number : | 1639-09-4 |
| fema number : | 4259 |
| coe number : | 11485 |
| jecfa number : | 1663 |
| fl. number : | 12.130 |
| molar refractivity : | 42.37 ± 0.3 cm3 |
| parachor : | 362.5 ± 4.0 cm3 |
| index of refraction : | 1.448 ± 0.02 |
| surface tension : | 27.6 ± 3.0 dyne/cm |
| density : | 0.836 ± 0.06 g/cm3 |
| polarizability : | 16.79 ± 0.5 10-24cm3 |
| xlogp : | 3.90 |
| molecular weight : | 132.2669400 |
| formula : | C7 H16 S |
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| fda reg : | unspecified |
h. number : | 2930.90.5050 |
| organoleptics : | |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | sulfurous onion |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.84000 - 0.84600 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.990 to 7.040
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| refractive index : | 1.49700 - 1.50300 @ 20.00 °C.
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| boiling point : | 173.00 - 176.00 °C. @ 765.00 mm Hg
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| boiling point : | 57.00 - 58.00 °C. @ 10.00 mm Hg
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| logp : | 3.91 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 115.00 °F. TCC ( 46.11 °C. )
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| recommendation for heptyl mercaptan usage levels up to : |
| | not for fragrance use.
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| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| publication number : 23. |
| 4259 | average usual ppm | average maximum ppm |
| baked goods : | 0.20000 | 1.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 0.10000 | 0.50000 |
| cheese : | 0.20000 | 1.00000 |
| chewing gum : | - | - |
| condiments / relishes : | 0.10000 | 0.50000 |
| confectionery froastings : | 0.20000 | 1.00000 |
| egg products : | - | - |
| fats / oils : | 0.10000 | 0.50000 |
| fish products : | 0.10000 | 0.20000 |
| frozen dairy : | 0.20000 | 1.00000 |
| fruit ices : | 0.20000 | 1.00000 |
| gelatins / puddings : | 0.20000 | 1.00000 |
| granulated sugar : | - | - |
| gravies : | 0.10000 | 0.50000 |
| hard candy : | 0.20000 | 1.00000 |
| imitation dairy : | 0.20000 | 1.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 0.10000 | 0.20000 |
| milk products : | 0.20000 | 1.00000 |
| nut products : | - | - |
| other grains : | 0.10000 | 0.50000 |
| poultry : | 0.10000 | 0.20000 |
| processed fruits : | 0.20000 | 1.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 0.10000 | 0.50000 |
| snack foods : | 0.40000 | 2.00000 |
| soft candy : | 0.20000 | 1.00000 |
| soups : | 0.10000 | 0.50000 |
| sugar substitutes : | - | - |
| sweet sauces : | 0.10000 | 0.50000 |
| safety links : | |
| (EINECS) number : | 216-678-8 |
| rtecs : | MJ1400000 for 1639-09-4 |
| chemidplus : | 001639094 |
| epa-srs : | 1639-09-4 |
| dtp/nci : | 71119 |
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| other : | |
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| references : | |
| jecfa number : | 1663 |
| fl. number : | 12.130 |
| pubchem : | 158743 |
| NIST Chemistry WebBook : | 1731013544 |
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