4-pentenyl isothiocyanate
5-isothiocyanatopent-1-ene
 
Notes:
Mustard oil from rape (Brassica napus), brown mustard (Brassica juncea) and other crucifers. Formed from 4-Pentenyl glucosinolate LBB30-J
  • BOC Sciences
    • 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 Molecule and chiral compounds.
      BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services.
      BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
      Email: Marketing
      US Email: Marketing
      Email: Sales
      US Email: Sales
      Voice: 1-631-485-4226
      Fax: 1-631-614-7828
      US Voice: 1-631-485-4226
      US Fax: 1-631-614-7828
      Europe44-203-286-1088
      Facebook
      Twitter
      Linkedin
      Blog
      Get the App!
      Product(s):
      18060-79-2 isoThiocyanic Acid 4-penten-1-yl Ester
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      16-10910 4-PENTENYL ISOTHIOCYANATE
       
  • TCI AMERICA
    • TCI AMERICA
      Moving Your Chemistry Forward
      We continuously strive to advance our technology.
      With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping!
      Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis.
      US Email: Sales
      Email: Technical Support
      Voice: 1-800-423-8616
      Fax: 1- 888-520-1075
      Facebook
      Twitter
      Instagram
      Linkedin
      Product(s):
      I0444 4-Penten-1-yl Isothiocyanate >95.0%(GC)
       
Synonyms   Articles   Notes   Search
CAS Number: 18060-79-2Picture of molecule3D/inchi
FDA UNII: HL8X1CRR9B
Nikkaji Web: J45.901A
MDL: MFCD00191527
XlogP3-AA: 3.10 (est)
Molecular Weight: 127.20973000
Formula: C6 H9 N S
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: 1893  4-pentenyl isothiocyanate
FEMA Number: 4427 4-pentenyl isothiocyanate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):18060-79-2 ; 4-PENTENYL ISOTHIOCYANATE
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.97000 to 0.97600 @  20.00 °C.
Pounds per Gallon - (est).: 8.081 to  8.131
Refractive Index: 1.51300 to 1.51900 @  20.00 °C.
Boiling Point: 182.00 to  183.00 °C. @ 760.00 mm Hg
Boiling Point: 57.00 to  58.00 °C. @ 3.00 mm Hg
Vapor Pressure: 1.087000 mmHg @ 25.00 °C. (est)
Flash Point: 136.00 °F. TCC ( 57.78 °C. )
logP (o/w): 3.014 (est)
Soluble in:
 alcohol
 water, 160 mg/L @ 20 °C (exp)
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
2-phenethyl isothiocyanate
isopropyl isothiocyanate
radish isothiocyanate
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: mustard
 
 mustard  horseradish  
Odor Description:
at 0.01 % in propylene glycol. 
mustard horseradish
 
Odor and/or flavor descriptions from others (if found).
 
 
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
BOC Sciences
For experimental / research use only.
isoThiocyanic Acid 4-penten-1-yl Ester
Parchem
4-pentenyl isothiocyanate
Penta International
4-PENTENYL ISOTHIOCYANATE
Santa Cruz Biotechnology
For experimental / research use only.
4-Penten-1-yl Isothiocyanate
TCI AMERICA
For experimental / research use only.
4-Penten-1-yl Isothiocyanate >95.0%(GC)
Synonyms   Articles   Notes   Search   Top
Safety Information:
Preferred SDS: View
 
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
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: flavoring agents
Recommendation for 4-pentenyl 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): 1.0000010.00000
beverages(alcoholic): 1.0000010.00000
breakfast cereal: --
cheese: 0.500005.00000
chewing gum: 5.0000050.00000
condiments / relishes: 100.00000700.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 3.0000030.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: 0.500005.00000
other grains: 0.500002.50000
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 10.00000100.00000
snack foods: 2.0000020.00000
soft candy: 3.0000030.00000
soups: 0.500005.00000
sugar substitutes: --
sweet sauces: --
Synonyms   Articles   Notes   Search   Top
Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 87436
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1992
WGK Germany: 3
 5-isothiocyanatopent-1-ene
Chemidplus: 0018060792
Synonyms   Articles   Notes   Search   Top
References:
 5-isothiocyanatopent-1-ene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 87436
Pubchem (sid): 135044658
Flavornet: 18060-79-2
Synonyms   Articles   Notes   Search   Top
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): HMDB34300
FooDB: FDB012643
Export Tariff Code: 2930.90.9190
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
fruity
fruity
 furfuryl acetateFL/FR
green
1-penten-3-olFL/FR
spicy
 ethyl vinyl ketoneFL/FR
2-methyl 5-(methyl thio) furanFL/FR
2-phenethyl isothiocyanateFL/FR
 
For Flavor
 
No flavor group found for these
 allyl alcoholFL
isobutyl mercaptanFL
2-phenethyl isothiocyanateFL/FR
alliaceous
 benzyl mercaptanFL
 cyclopentyl mercaptanFL
3-mercapto-2-pentanoneFL
2-methyl thioacetaldehydeFL
estery
 furfuryl acetateFL/FR
green
1-penten-3-olFL/FR
musty
2-methyl 5-(methyl thio) furanFL/FR
onion
 methyl propyl disulfideFL
spicy
 ethyl vinyl ketoneFL/FR
sulfurous
 allyl sulfideFL
 furfuryl methyl sulfideFL
vegetable
 radish isothiocyanateFL
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 wasabiFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 cabbage leaf
Search Trop  Picture
 horseradish root
Search Trop  Picture
 mustard brown mustard
Search Trop  Picture
 mustard field mustard
Search Trop  Picture
 mustard oil
Search  PMC Picture
 rugula herb
Search Trop  Picture
 wasabi plant
Search Trop  Picture
Synonyms   Articles   Notes   Search   Top
Synonyms:
4-penten-1-yl isothiocyanate
1-pentene, 5-isothiocyanato-
1-pentene,5-isothiocyanato-
4-pentenyl ester isothiocyanic acid
5-isothiocyanatopent-1-ene
isothiocyanic acid 4-penten-1-yl ester
isothiocyanic acid pent-4-enyl ester
5-isothiocyano-1-pentene
Synonyms   Articles   Notes   Search   Top
Articles:
PubMed: Evaluation of antibacterial activity of 3-butenyl, 4-pentenyl, 2-phenylethyl, and benzyl isothiocyanate in Brassica vegetables.
PubMed: Male Phyllotreta striolata (F.) produce an aggregation pheromone: identification of male-specific compounds and interaction with host plant volatiles.
PubMed: Hexane extract of Raphanus sativus L. roots inhibits cell proliferation and induces apoptosis in human cancer cells by modulating genes related to apoptotic pathway.
PubMed: Chemical Investigation of Some Capparis Species Growing in Egypt and their Antioxidant Activity.
PubMed: Behavioral and electrophysiological responses of Aphids to host and nonhost plant volatiles.
PubMed: [Isothiocyanate and vinyl thio-oxazolidone contents of rape seeds and rape seed oil].
Synonyms   Articles   Notes   Search   Top
Please share your Comments.
Email Address:
 
 
 
 
Top of Page Home
Copyright © 1980-2021 Perflavory ™ Disclaimer Privacy Policy