grapefruit mercaptan
1-p-menthen-8-thiol
Identification
| Name | grapefruit mercaptan |
| IUPAC | 2-(4-methyl-1-cyclohex-3-enyl)propane-2-thiol |
| CAS Number | 71159-90-5 |
| EINECS | 275-223-1 |
| FDA UNII | 7AT54D0N8R |
| Molecular Formula | C10 H18 S |
| Molecular Weight | 170.31846000 |
| Nikkaji Number | J308.725E |
Regulatory
| JECFA Food Flavoring | 523 1-p-menthen-8-thiol |
| DG SANTE Food Flavourings | 12.085 p-menth-1-en-8-thiol |
| FEMA Number | 3700 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 71159-90-5 ; 1-P-MENTHENE-8-THIOL |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.02800 to 1.03800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.554 to 8.637 |
| Refractive Index | 1.43000 to 1.44000 @ 20.00 °C. |
| Boiling Point | 37.00 °C. @ 0.10 mm Hg, 58.00 °C. @ 0.33 mm Hg |
| Vapor Pressure | 0.105000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w) | 4.196 (est) |
| Soluble in | fats |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | 105 hour(s) at 10.00 % |
| Odor Description |
at 1.00 % in triethyl citrate. at 1.00 %. Intense grapefruit top-note Intense grapefruit top-note
|
| Odor sample from | R C Treatt and Co Ltd |
| Taste Description |
at 20.00 ppm. grapefruit grapefruit
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 [sex: M,F] > 6000 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for grapefruit mercaptan usage levels up to | 0.1000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 37.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 1.00 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 0.15 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 0.00030 |
| beverages(nonalcoholic) | 0.00015 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 0.00030 |
| condiments / relishes | - |
| confectionery froastings | 0.00030 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | 0.00030 |
| gelatins / puddings | 0.00030 |
| granulated sugar | - |
| gravies | - |
| hard candy | 0.00030 |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | 0.00030 |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | 0.00030 |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | 0.00030 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
| Dairy products, excluding products of category 02.0 (01.0) | 0.00030 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | - |
| Edible ices, including sherbet and sorbet (03.0) | 0.00030 |
| Processed fruit (04.1) | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | 0.00030 |
| Confectionery (05.0) | 0.00030 |
| Chewing gum (05.3) | 0.00030 |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.00030 |
| Bakery wares (07.0) | 0.00030 |
| Meat and meat products, including poultry and game (08.0) | 0.00030 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | - |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | - |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.00030 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 0.00015 |
| Ready-to-eat savouries (15.0) | - |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | - |
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