isopropyl isothiocyanate
2-isothiocyanatopropane
Identification
| Name | isopropyl isothiocyanate |
| IUPAC | 2-isothiocyanatopropane |
| CAS Number | 2253-73-8 |
| EINECS | 218-851-3 |
| FDA UNII | 46561PKP9T |
| Molecular Formula | C4 H7 N S |
| Molecular Weight | 101.17179000 |
| MDL Number | MFCD00037830 |
| Nikkaji Number | J33.556H |
Regulatory
| JECFA Food Flavoring | 1888 isopropyl isothiocyanate |
| FEMA Number | 4425 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 2253-73-8 ; ISOPROPYL ISOTHIOCYANATE |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.94700 to 0.95500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.880 to 7.947 |
| Refractive Index | 1.48900 to 1.49700 @ 20.00 °C. |
| Boiling Point | 136.00 to 138.00 °C. @ 760.00 mm Hg, 29.00 to 30.00 °C. @ 10.00 mm Hg |
| Vapor Pressure | 7.583000 mmHg @ 25.00 °C. (est) |
| Flash Point | 104.00 °F. TCC ( 40.00 °C. ) |
| logP (o/w) | 1.997 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description | at 0.01 % in propylene glycol. |
| Taste Description | mustard |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| 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 | flavoring agents |
| Recommendation for isopropyl isothiocyanate usage levels up to | not for fragrance use. |
| baked goods | 2.00000 |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | 0.50000 |
| chewing gum | - |
| condiments / relishes | 10.00000 |
| confectionery froastings | - |
| egg products | - |
| fats / oils | 1.00000 |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | 1.00000 |
| hard candy | - |
| imitation dairy | 1.00000 |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.50000 |
| milk products | - |
| nut products | - |
| other grains | 0.50000 |
| poultry | - |
| processed fruits | - |
| processed vegetables | 0.50000 |
| reconstituted vegetables | 0.50000 |
| seasonings / flavors | 5.00000 |
| snack foods | 1.00000 |
| soft candy | - |
| soups | 1.00000 |
| sugar substitutes | - |
| sweet sauces | - |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Potential Uses
Natural Occurrence
Synonyms
propan-2-isothiocyanate
propane, 2-isothiocyanato-
iso-
propyl isothiocyanate
iso
propyl mustard
iso
propyl mustard oil
iso
propylisothiocyanate
2-iso
thiocyanato-propane
2-iso
thiocyanatopropane
iso
thiocyanic acid isopropyl ester
PubMed:
Antimutagenic thio compounds from Sisymbrium officinale.
PubMed:
Determination of volatile glucosinolate degradation products in seed coat, stem and in vitro cultures of Moringa peregrina (Forssk.) Fiori.
PubMed:
Carbene-mediated transformations of 1-(benzylideneamino)benzimidazoles.
PubMed:
Hedge mustard (Sisymbrium officinale): chemical diversity of volatiles and their antimicrobial activity.
PubMed:
Antimicrobial components of some cruciferae plants (Diplotaxis harra Forsk. and Erucaria microcarpa Boiss.)
PubMed:
Delineation of the intimate details of the backbone conformation of pyridine nucleotide coenzymes in aqueous solution.
PubMed:
[Concerning the gas chromatographic determination of amphetamine as (1-phenyl-isopropyl)-isothiocyanate].