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

amyl isothiocyanate
1-isothiocyanatopentane

Supplier Sponsors

Name:1-isothiocyanatopentane
CAS Number: 629-12-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-075-6
FDA UNII:KL6U8NL15R
Nikkaji Web:J95.714C
Beilstein Number:1746691
MDL:MFCD00014444
XlogP3:3.50 (est)
Molecular Weight:129.22567000
Formula:C6 H11 N S
BioActivity Summary:listing
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
JECFA Food Flavoring:1891 amyl isothiocyanate
FEMA Number:4417 amyl isothiocyanate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):629-12-9 ; AMYL ISOTHIOCYANATE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.94200 to 0.94800 @ 20.00 °C.
Pounds per Gallon - (est).: 7.848 to 7.898
Refractive Index:1.49500 to 1.50100 @ 20.00 °C.
Boiling Point: 117.00 to 119.00 °C. @ 70.00 mm Hg
Boiling Point: 191.00 to 193.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.649000 mmHg @ 25.00 °C. (est)
Flash Point: 89.00 °F. TCC ( 31.67 °C. )
logP (o/w): 3.172 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:store under nitrogen.
Storage:refrigerate in tightly sealed containers. store under nitrogen.
 moisture Sensitive.
Soluble in:
 alcohol
 water, very slightly
 water, 151 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl 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
radish isothiocyanate
 
Organoleptic Properties:
Odor Strength:high ,
recommend smelling in a 0.01 % solution or less
Odor Description:green
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Amyl Isothiocyanate
DeLong Chemicals America
Amyl isothiocyanate, Kosher
Matrix Scientific
For experimental / research use only.
Pentyl isothiocyanate, 99%
Penta International
AMYL ISOTHIOCYANATE
Santa Cruz Biotechnology
For experimental / research use only.
Pentyl isothiocyanate
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 22 - Harmful if swallowed.
R 23 - Toxic by inhalation.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 42 - May cause sensitisation by inhalation.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
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)
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 amyl 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: 5.0000025.00000
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: 0.100000.50000
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.100000.50000
snack foods: 0.100000.50000
soft candy: --
soups: 0.100000.50000
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :69415
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2922
WGK Germany:3
1-isothiocyanatopentane
Chemidplus:0000629129
 
References:
 1-isothiocyanatopentane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):69415
Pubchem (sid):135150723
 
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 Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB38433
FooDB:FDB017791
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alliaceous
dibutyl sulfide
FL/FR
floral
2-
phenyl-2-pentenal
FL/FR
fruity
furfuryl acetate
FL/FR
hexyl (E)-tiglate
FL/FR
green
(Z)-
leaf acetal
FL/FR
1-
penten-3-ol
FL/FR
musty
cocoa butenal
FL/FR
nutty
shoyu pyrazine
FL/FR
2,4,5-
trimethyl oxazole
FL/FR
sulfurous
cassis pentanone
FL/FR
dimethyl sulfide
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
3-(
methyl thio) hexanol
FL/FR
2-
phenethyl isothiocyanate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
3-
hydroxypyruvic acid
FL
methyl isothiocyanate
FL
4-
methyl thiobutyl isothiocyanate
FL
6-
methyl thiohexyl isothiocyanate
FL
5-
methyl thiopentyl isothiocyanate
FL
4-
pentenyl isothiocyanate
FL
2-
phenethyl isothiocyanate
FL/FR
alliaceous
alliaceous
benzyl mercaptan
FL
cyclopentyl mercaptan
FL
3-
mercapto-2-pentanone
FL
burnt
methyl phenyl disulfide
FL
2,4,5-
trimethyl oxazole
FL/FR
estery
furfuryl acetate
FL/FR
green
cassis pentanone
FL/FR
cocoa butenal
FL/FR
dibutyl sulfide
FL/FR
2-
furyl acetone
FL
hexyl (E)-tiglate
FL/FR
(Z)-
leaf acetal
FL/FR
1-
penten-3-ol
FL/FR
2-
phenyl-2-pentenal
FL/FR
metallic
3-(
methyl thio) hexanol
FL/FR
musty
2-
methyl 5-(methyl thio) furan
FL/FR
shoyu pyrazine
FL/FR
onion
methyl propyl disulfide
FL
spicy
benzyl isothiocyanate
FL
sulfurous
allyl sulfide
FL
dimethyl sulfide
FL/FR
furfuryl methyl sulfide
FL
1-(
methyl thio)-2-butanone
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
2-
octen-4-one
FL/FR
radish isothiocyanate
FL
 
Potential Uses:
FLhorseradish
FLradish
FLwasabi
 
Occurrence (nature, food, other):note
 radish japanese radish
Search Trop Picture
 
Synonyms:
N-amyl isothiocyanate
 pentane, 1-isothiocyanato-
 pentanisothiocyanate
 pentyl isothiocyanate
1-pentyl isothiocyanate
N-pentyl isothiocyanate
1-isothiocyanato-pentane
1-isothiocyanatopentane
isothiocyanic acid pentyl ester
 

Articles:

PubMed:Use of TD-GC-TOF-MS to assess volatile composition during post-harvest storage in seven accessions of rocket salad (Eruca sativa).
PubMed:Nematicidal Activity of the Volatilome of Eruca sativa on Meloidogyne incognita.
PubMed:Effect of direction (epidermis-to-dermis and dermis-to-epidermis) on the permeation of several chemical compounds through full-thickness skin and stripped skin.
PubMed:Glucosinolate profiling and antimicrobial screening of Aurinia leucadea (Brassicaceae).
PubMed:Inhibition of methyl-n-amylnitrosamine hydroxylation by diallyl sulfide and phenethylisothiocyanate in the rat.
PubMed:Respective role of lipoxygenase and nitric oxide-synthase pathways in plasma histamine-induced macromolecular leakage in conscious hamsters.
PubMed:Diffusion of dialkylnitrosamines into the rat esophagus as a factor in esophageal carcinogenesis.
PubMed:Co-existence of cationic and chloride components in odorant-induced current of vertebrate olfactory receptor cells.
PubMed:Inhibition by phenylethyl and phenylhexyl isothiocyanate of metabolism of and DNA methylation by N-nitrosomethylamylamine in rats.
PubMed:Alpha-1-adrenergic modulation of K and Cl transport in bovine retinal pigment epithelium.
 
Notes:
Isol. from Japanese radish (Raphanus sativus var. niger) roots
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy