radish isothiocyanate
3-methylthiopropyl isothiocyanate
 
Notes:
Found in hydrolysates of crucifer seeds. Also found in cabbage, cauliflower, kohlrabi, horse radish (Armoracia lapathifolia), Japanese horseradish (Wasabi japonica) and radish (Rapharius sativus). Flavouring ingredient
  • Advanced Biotech
    • Advanced Biotech. Inc.
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      A diverse range of products, all meeting our stringent commitment to quality.
      Advanced Biotech is a leading manufacturer and supplier of high-quality Natural flavoring ingredients & botanical extracts for the food/beverage, cosmetic and personal care industries. With over 25 years of experience working with Fermentation processing & botanical extracts, we can help develop new innovative and functional products for today‪s competitive marketplace. Our company prides itself in the ability to cater to our customer‪s specific needs while maintaining our focus on integrity, honesty and the commitment to high quality product standards. We proudly offer our quality Natural ingredients to companies around the world.
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      4087 3-(METHYLTHIO) PROPYL ISOTHIOCYANATE
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  • Endeavour Specialty Chemicals
    • Endeavour Specialty Chemicals Ltd
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  • M&U International
    • M&U International LLC
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      A0320 3-(METHYLTHIO)PROPYL ISOTHIOCYANATE, Kosher
       
  • Penta International
    • Penta International Corporation
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      13-72500 3-METHYLTHIOPROPYL ISOTHIOCYANATE
       
  • Robinson Brothers
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  • Synerzine
    • Synerzine, Inc.
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      W1859 3-Methylthiopropyl Isothiocyanate
       
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      M2027 3-(Methylthio)propyl Isothiocyanate >97.0%(GC)
       
  • R C Treatt & Co Ltd
    • R C Treatt and Co Ltd
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      3-Methylthiopropyl isothiocyanate Halal, Kosher

      Used in radish, mustard and condiment flavours. This material and allyl isothiocyanate are both constituents in horseradish and are the only two characterising materials on the GRAS list permitted for such flavors. In nature, Allyl isothiocyanate and 2-phenethyl isothiocyanate constitute 37% and 27% of horseradish volatiles, respectively; this material being a relatively minor constituent (e.g. about 1%). Normal use levels in finished consumer product: 0.05-5 ppm. Council of Europe limits: Foods (5 ppm).
       
       
  • United International
    • Qingdao Free Trade Zone United International Co Ltd
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      9060 3-Methylthio Propyl Isothiocyanate
       
Synonyms   Articles   Notes   Search
CAS Number: 505-79-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 208-020-3
FDA UNII: YTT13BN94Z
Nikkaji Web: J182.259D
MDL: MFCD00209521
CoE Number: 2326
XlogP3-AA: 2.60 (est)
Molecular Weight: 147.26373000
Formula: C5 H9 N S2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1564  3-methylthiopropyl isothiocyanate
DG SANTE Food Flavourings: 12.030  3-(methylthio)propyl isothiocyanate
FEMA Number: 3312 3-methylthiopropyl isothiocyanate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):505-79-3 ; 3-METHYLTHIOPROPYL ISOTHIOCYANATE
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Physical Properties:
Appearance: colorless to yellow clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 254.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.045000 mmHg @ 25.00 °C. (est)
Flash Point: > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 2.349 (est)
Soluble in:
 alcohol
 water, 739.9 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl isothiocyanate
amyl isothiocyanate
isoamyl isothiocyanate
benzyl isothiocyanate
3-buten-1-yl isothiocyanate
butyl isothiocyanate
isobutyl isothiocyanate
sec-butyl isothiocyanate
ethyl isothiocyanate
5-hexen-1-yl isothiocyanate
hexyl isothiocyanate
methyl isothiocyanate
4-methyl thiobutyl isothiocyanate
6-methyl thiohexyl isothiocyanate
5-methyl thiopentyl isothiocyanate
4-pentenyl isothiocyanate
2-phenethyl isothiocyanate
isopropyl isothiocyanate
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: rooty
 
 earthy  vegetable  sulfurous  horseradish  radish  rooty  metallic  
Odor Description:
at 0.01 % in propylene glycol. 
earthy vegetable sulfurous horseradish
 
 rooty  pungent  vegetable  sulfurous  horseradish  
Odor Description:
Rooty, pungent, vegetative, sulfureous and horseradish-like
Mosciano, Gerard P&F 18, No. 3, 53, (1993)
 
 
Flavor Type: vegetable
 
 vegetable  radish  sulfurous  earthy  metallic  
Taste Description:
at 5.00 ppm.  
Vegetative, radish-Iike with sulfureous, earthy and metallic nuances
Mosciano, Gerard P&F 18, No. 3, 53, (1993)
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
Advanced Biotech
3-(METHYLTHIO) PROPYL ISOTHIOCYANATE
BOC Sciences
For experimental / research use only.
Iberverin, 97%
DeLong Chemicals America
3-Methylthiopropyl isothiocyanate, Kosher
Endeavour Specialty Chemicals
3-(Methylthio)propyl isothiocyanate 98% F&F
Speciality Chemical Product Groups
Kingchem Laboratories
3 METHYL THIOPROPYL ISOTHIOCYANATE
Odor: Radish
M&U International
3-(METHYLTHIO)PROPYL ISOTHIOCYANATE, Kosher
Penta International
3-METHYLTHIOPROPYL ISOTHIOCYANATE
R C Treatt & Co Ltd
3-Methylthiopropyl isothiocyanate
Halal, Kosher
Odor: rooty, pungent, vegetative, sulphurous and horseradish-like
Flavor: Vegetative, radish-like with sulphurous, earthy and metallic nuances at 5 ppm
Used in radish, mustard and condiment flavours. This material and allyl isothiocyanate are both constituents in horseradish and are the only two characterising materials on the GRAS list permitted for such flavors. In nature, Allyl isothiocyanate and 2-phenethyl isothiocyanate constitute 37% and 27% of horseradish volatiles, respectively; this material being a relatively minor constituent (e.g. about 1%). Normal use levels in finished consumer product: 0.05-5 ppm. Council of Europe limits: Foods (5 ppm).
Robinson Brothers
3-(Methylthio)propyl Isothiocyanate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
Iberverin ≥97%
Sigma-Aldrich
3-(Methylthio)propyl isothiocyanate, ≥98%, FG
Odor: alliaceous (onion, garlic); vegetable
Certified Food Grade Products
Synerzine
3-Methylthiopropyl Isothiocyanate
TCI AMERICA
For experimental / research use only.
3-(Methylthio)propyl Isothiocyanate >97.0%(GC)
United International
3-Methylthio Propyl Isothiocyanate
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Skin irritation (Category 2), H315
Eye irritation (Category 2A), H319
GHS Label elements, including precautionary statements
 
Pictogramexclamation-mark.jpg
 
Signal word Warning
Hazard statement(s)
H315 - Causes skin irritation
H319 - Causes serious eye irritation
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P302 + P352 - IF ON SKIN: wash with plenty of soap and water.
P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention.
P337 + P313 - IF eye irritation persists: Get medical advice/attention.
P362 - Take off contaminated clothing and wash before reuse.
Oral/Parenteral Toxicity:
oral-rat LD50  [sex: M,F] 540 mg/kg
(Harper & Ginn, 1964)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for radish isothiocyanate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 11.10 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 52.00 (μg/capita/day)
Threshold of Concern:540 (μg/person/day)
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: 5
Click here to view publication 5
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: -4.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 85: Consideration of miscellaneous nitrogen-containing substances evaluated by JECFA (65th meeting)[1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 38 (FGE.38)[1] 3-Butenyl isothiocyanate - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 505-79-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 62351
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 1-isothiocyanato-3-methylsulfanylpropane
Chemidplus: 0000505793
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References:
 1-isothiocyanato-3-methylsulfanylpropane
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 505-79-3
Pubchem (cid): 62351
Pubchem (sid): 135019889
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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
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB34370
FooDB: FDB012744
Export Tariff Code: 2929.10.8090
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
earthy
earthy
2-ethyl fencholFL/FR
 methyl undecylenateFL/FR
 octyl phenyl acetateFL/FR
fruity
 furfuryl acetateFL/FR
 hexyl (E)-tiglateFL/FR
 rhubarb pyranFR
 tropical thiazoleFL/FR
green
2-isobutyl thiazoleFL/FR
 galbanum oilFL/FR
 geranium thiazoleFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
4-hexenolFL/FR
1-penten-3-olFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
herbal
 barosma betulina leaf oilFL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
medicinal
2,6-xylenolFL/FR
 cassis pentanoneFL/FR
 dimethyl disulfideFL/FR
 dimethyl sulfideFL/FR
 methyl 3-(methyl thio) propionateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
2-phenethyl isothiocyanateFL/FR
tonka
 melilot absoluteFR
vegetable
 methionalFL/FR
 vetiver oil haitiFL/FR
 vetiver resinoidFR
 
For Flavor
 
No flavor group found for these
 diisopropyl sulfideFL
 elecampane root absoluteFL
 elecampane root oilFL
3-ethyl thiopropanolFL
2-ethyl-4,5-dimethyl oxazoleFL
 melilot oleoresinFL
3-methyl mercaptopropyl amineFL
4-methyl thiobutyl isothiocyanateFL
6-methyl thiohexyl isothiocyanateFL
5-methyl thiopentyl isothiocyanateFL
2-methyl-5-methoxythiazoleFL
 octyl phenyl acetateFL/FR
4-pentenyl isothiocyanateFL
2-phenethyl isothiocyanateFL/FR
alliaceous
 benzyl mercaptanFL
 cyclopentyl mercaptanFL
3-mercapto-2-pentanoneFL
2-methyl thioacetaldehydeFL
 tropical thiazoleFL/FR
burnt
 methyl phenyl disulfideFL
2,6-xylenolFL/FR
earthy
2-ethyl fencholFL/FR
estery
 furfuryl acetateFL/FR
fruity
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
green
2-isobutyl thiazoleFL/FR
 cassis pentanoneFL/FR
2-furyl acetoneFL
 galbanum oilFL/FR
 geranium thiazoleFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl (E)-tiglateFL/FR
 horseradish oilFL
1-penten-3-olFL/FR
herbal
 barosma betulina leaf oilFL/FR
metallic
4-hexenolFL/FR
musty
2-methyl 5-(methyl thio) furanFL/FR
onion
 methyl propyl disulfideFL
oyster
 oyster flavorFL
sulfurous
 allyl sulfideFL
 dimethyl disulfideFL/FR
 dimethyl sulfideFL/FR
 diphenyl disulfideFL
 furfuryl methyl sulfideFL
 potato butanoneFL
tomato
 methionalFL/FR
vegetable
 methyl 3-(methyl thio) propionateFL/FR
waxy
 methyl undecylenateFL/FR
woody
 vetiver oil haitiFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 cabbageFL
 garlicFL
 horseradishFL
 leekFL
 mustardFL
 onionFL
 radishFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 cabbage leaf
Search Trop  Picture
 cauliflower
Search Trop  Picture
 crucifer seed
Search  PMC Picture
 horseradish root
Search Trop  Picture
 iberis sempervirens seed
Search Trop  Picture
 kohlrabi stem
Search Trop  Picture
 radish
Search Trop  Picture
 wasabi
Search Trop  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
3-methyl mercaptopropyl isothiocyanate
3-(methyl thio) propyl isothiocyanate
3-methyl thiopropyl isothiocyanate
3 methyl thiopropyl isothiocyanate
 methyl-3 thiopropyl isothiocyanate
3-(methylmercapto)propyl isothiocyanate
3-methylmercaptopropyl isothiocyanate
3-(methylthio) propyl isothiocyanate
3-(methylthio)propyl isothiocyanate
3-(methylthio)propylisothiocyanate
3-methylthiopropanisothiocyanate
3-methylthiopropyl isothiocyanate
 propane, 1-isothiocyanato-3-(methylthio)-
3-propylisothiocyanate
1-isothiocyanato-3-(methyl thio) propane
1-isothiocyanato-3-(methylsulfanyl)propane
1-isothiocyanato-3-(methylthio)propane
1-isothiocyanato-3-methylsulfanylpropane
isothiocyanic acid 3-(methyl thio) propyl ester
isothiocyanic acid 3-(methylthio)propyl ester
isothiocyanic acid, 3-(methylthio)propyl ester
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Synonyms   Articles   Notes   Search   Top
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