isoamyl isothiocyanate
1-isothiocyanato-3-methylbutane
Identification
| Name | isoamyl isothiocyanate |
| IUPAC | 1-isothiocyanato-3-methylbutane |
| CAS Number | 628-03-5 |
| FDA UNII | HLP916O2C9 |
| Molecular Formula | C6 H11 N S |
| Molecular Weight | 129.22567000 |
| MDL Number | MFCD00060419 |
| Nikkaji Number | J95.715A |
Regulatory
| JECFA Food Flavoring | 1887 isoamyl isothiocyanate |
| FEMA Number | 4423 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 628-03-5 ; ISOAMYL ISOTHIOCYANATE |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.93900 to 0.94500 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.813 to 7.863 |
| Refractive Index | 1.49300 to 1.49900 @ 20.00 °C. |
| Boiling Point | 183.00 to 184.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.973000 mmHg @ 25.00 °C. (est) |
| Flash Point | 139.00 °F. TCC ( 59.44 °C. ) |
| logP (o/w) | 3.016 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description | green |
Safety Information
| 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 isoamyl isothiocyanate usage levels up to | not for fragrance use. |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | 2.00000 |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | 0.10000 |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 0.10000 |
| snack foods | 0.10000 |
| soft candy | - |
| soups | 0.10000 |
| 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
butane, 1-isothiocyanato-3-methyl-
butane,1-isothiocyanato-3-methyl-
3-
methyl butyl isothiocyanate
3-
methylbutyl isothiocyanate
iso
pentyl isothiocyanate
1-iso
thiocyanato-3-methyl butane
1-iso
thiocyanato-3-methylbutane
iso
thiocyanic acid isopentyl ester
PubMed:
Isoprenyl-thiourea and urea derivatives as new farnesyl diphosphate analogues: synthesis and in vitro antimicrobial and cytotoxic activities.
PubMed:
Purification of RNA using TRIzol (TRI reagent).
PubMed:
Extraction of high molecular weight genomic DNA from soils and sediments.
PubMed:
Simple DNA extraction protocol for a 16S rDNA study of bacterial diversity in tropical landfarm soil used for bioremediation of oil waste.
PubMed:
Rapid detection and differentiation of bovine herpesvirus 1 and 5 glycoprotein C gene in clinical specimens by multiplex-PCR.
PubMed:
Quality of odor and olfactory lateralization processes in humans.
PubMed:
PIG-B: a homemade monophasic cocktail for the extraction of RNA.