We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

ethyl isothiocyanate

Chemical Structure

General Material Information

Preferred name ethyl isothiocyanate
Trivial Name Ethyl isothiocyanate
Short Description isothiocyanatoethane
Formula C3 H5 N S
CAS Number 542-85-8
FEMA Number 4420
ECHA Number 208-831-2
FDA UNII 3284MJ2T8P
Nikkaji Number J33.544D
Beilstein Number 1737705
MDL MFCD00004820
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1885 ethyl isothiocyanate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 542-85-8 ; ETHYL ISOTHIOCYANATE
Synonyms
  • 1,1'- dichlorodimethyl ether
  • ethane, isothiocyanato-
  • ethyl mustard oil
  • ethyl thioisocyanate
  • ethylisothiocyanate
  • iso thiocyanato-ethane
  • iso thiocyanatoethane
  • iso thiocyanic acid ethyl ester
  • iso thiocyanic acid, ethyl ester
  • isothiocyanatoethane
  • Isothiocyanic acid, ethyl ester
  • NSC 84212
  • 1-Isothiocyanatoethane

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
FooDB:FDB009395
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 87.14485168457
Specific gravity @ 25 °C
Pounds per Gallon 8.296 to 8.354
Refractive Index 1.51 to 1.515 @ 20 °C
Melting Point -6 to -4°C @ 760 mm Hg
Boiling Point 130 to 132°C @ 760 mm Hg
Vapor Pressure 11.45 mmHg @ 25 °C
Flash Point TCC Value 31.67 °C TCC
logP (o/w) 1.47
Solubility
alcohol Yes
water, 7022 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Pungent
pungent, mustard, garlic
General comment At 0.01 % in propylene glycol. pungent mustard garlic

Occurrences

Potential Uses

Applications
Flavoring purposes Horseradish, Mustard, Radish, Wasabi

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
T - Toxic.
R 10 - Flammable.
R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 01/02 - Keep locked up and out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 33 - Take precautionary measures against static discharge.
S 37 - Wear suitable gloves.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for ethyl isothiocyanate usage levels up to:
not for fragrance use.
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).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 23
Click here to view publication 23
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 0.100000.50000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.500005.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.200001.00000
snack foods: 0.100000.50000
soft candy: --
soups: 0.100000.50000
sugar substitutes: --
sweet sauces: --

Safety references

EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):542-85-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10966
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3286
WGK Germany:3
isothiocyanatoethane
Chemidplus:0000542858
RTECS:NX8590000 for cas# 542-85-8