EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

radish isothiocyanate
3-methylthiopropyl isothiocyanate

Sponsors

Name:1-isothiocyanato-3-methylsulfanylpropane
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
FLAVIS Number:12.030 (Old)
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: 3-METHYLTHIOPROPYL ISOTHIOCYANATE
 
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 mm/Hg @ 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
 
Organoleptic Properties:
Odor Type: rooty
Odor Strength:very high ,
recommend smelling in a 0.01 % solution or less
earthy vegetable sulfurous horseradish
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).
 
Cosmetic Information:
None found
 
Suppliers:
Advanced Biotech
3-(METHYLTHIO) PROPYL ISOTHIOCYANATE
Apiscent Labs
3 METHYL THIOPROPYL ISOTHIOCYANATE
Odor: Radish
DeLong Chemicals America
3-Methylthiopropyl isothiocyanate, Kosher
Endeavour Specialty Chemicals
3-(Methylthio)propyl isothiocyanate 98% F&F
Speciality Chemical Product Groups
Frutarom
3 METHYLTHIOPROPYL ISOTHIOCYANATE
M&U International
3-(METHYLTHIO)PROPYL ISOTHIOCYANATE, Kosher
Penta International
3-METHYLTHIOPROPYL ISOTHIOCYANATE, Kosher
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)
Treatt
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).
 
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
 
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
 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: --
 
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
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
 
References:
 1-isothiocyanato-3-methylsulfanylpropane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:505-79-3
Pubchem (cid):62351
Pubchem (sid):135019889
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (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
 
Potential Blenders and core components note
For Odor
earthy
2-
ethyl fenchol
FL/FR
octyl phenyl acetate
FL/FR
fruity
furfuryl acetate
FL/FR
hexyl (E)-tiglate
FL/FR
rhubarb pyran
FR
tropical thiazole
FL/FR
green
2-iso
butyl thiazole
FL/FR
galbanum oil
FL/FR
geranium thiazole
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
4-
hexenol
FL/FR
1-
penten-3-ol
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
herbal
barosma betulina leaf oil
FL/FR
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
medicinal
2,6-
xylenol
FL/FR
sulfurous
cassis pentanone
FL/FR
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
2-
phenethyl isothiocyanate
FL/FR
tonka
melilot absolute
FR
vegetable
methional
FL/FR
woody
vetiver oil haiti
FL/FR
vetiver resinoid
FR
For Flavor
No flavor group found for these
diisopropyl sulfide
FL
elecampane root absolute
FL
elecampane root oil
FL
3-
ethyl thiopropanol
FL
2-
ethyl-4,5-dimethyl oxazole
FL
melilot oleoresin
FL
3-
methyl mercaptopropyl amine
FL
4-
methyl thiobutyl isothiocyanate
FL
6-
methyl thiohexyl isothiocyanate
FL
5-
methyl thiopentyl isothiocyanate
FL
2-
methyl-5-methoxythiazole
FL
octyl phenyl acetate
FL/FR
4-
pentenyl isothiocyanate
FL
2-
phenethyl isothiocyanate
FL/FR
alliaceous
alliaceous
benzyl mercaptan
FL
cyclopentyl mercaptan
FL
3-
mercapto-2-pentanone
FL
2-
methyl thioacetaldehyde
FL
tropical thiazole
FL/FR
burnt
methyl phenyl disulfide
FL
2,6-
xylenol
FL/FR
earthy
2-
ethyl fenchol
FL/FR
estery
furfuryl acetate
FL/FR
fruity
valerian rhizome oil
FL/FR
valerian rhizome oil china
FL/FR
valerian rhizome oil CO2 extract china
FL/FR
green
2-iso
butyl thiazole
FL/FR
cassis pentanone
FL/FR
2-
furyl acetone
FL
galbanum oil
FL/FR
geranium thiazole
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
hexyl (E)-tiglate
FL/FR
horseradish oil
FL
1-
penten-3-ol
FL/FR
herbal
barosma betulina leaf oil
FL/FR
metallic
4-
hexenol
FL/FR
musty
2-
methyl 5-(methyl thio) furan
FL/FR
onion
methyl propyl disulfide
FL
sulfurous
allyl sulfide
FL
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
diphenyl disulfide
FL
furfuryl methyl sulfide
FL
potato butanone
FL
tomato
methional
FL/FR
vegetable
methyl 3-(methyl thio) propionate
FL/FR
woody
vetiver oil haiti
FL/FR
 
Potential Uses:
FLcabbage
FLgarlic
FLhorseradish
FLleek
FLmustard
FLonion
 radish
 
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:
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
 
 
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
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy