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Literature & References

4-pentenyl isothiocyanate

General Material Information

Preferred name	4-pentenyl isothiocyanate
Trivial Name	4-Pentenyl isothiocyanate
Short Description	5-isothiocyanatopent-1-ene
Formula	C6 H9 N S
CAS Number	18060-79-2
FEMA Number	4427
FDA UNII	HL8X1CRR9B
Nikkaji Number	J45.901A
MDL	MFCD00191527
xLogP3-AA	3.10 (est)
NMR Predictor	External link
JECFA Food Flavoring	1893 4-pentenyl isothiocyanate
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	18060-79-2 ; 4-PENTENYL ISOTHIOCYANATE
Synonyms	4-penten-1-yl isothiocyanate 1-pentene, 5-isothiocyanato- 1-pentene,5-isothiocyanato- 4-pentenyl ester isothiocyanic acid 5-iso thiocyanatopent-1-ene iso thiocyanic acid 4-penten-1-yl ester iso thiocyanic acid pent-4-enyl ester 5-iso thiocyano-1-pentene 5-isothiocyanatopent-1-ene 1-Pentene, 5-isothiocyanato- Isothiocyanic acid, 4-pentenyl ester 5-Isothiocyanato-1-pentene

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Literature & References

	5-isothiocyanatopent-1-ene
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	87436
Pubchem (sid):	135044658
Flavornet:	18060-79-2

Publications by PubMed
Evaluation of antibacterial activity of 3-butenyl, 4-pentenyl, 2-phenylethyl, and benzyl isothiocyanate in Brassica vegetables.
Male Phyllotreta striolata (F.) produce an aggregation pheromone: identification of male-specific compounds and interaction with host plant volatiles.
Hexane extract of Raphanus sativus L. roots inhibits cell proliferation and induces apoptosis in human cancer cells by modulating genes related to apoptotic pathway.
Chemical Investigation of Some Capparis Species Growing in Egypt and their Antioxidant Activity.
Behavioral and electrophysiological responses of Aphids to host and nonhost plant volatiles.
[Isothiocyanate and vinyl thio-oxazolidone contents of rape seeds and rape seed oil].

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

Suppliers

BOC Sciences	Parchem
Penta International	Santa Cruz Biotechnology
TCI AMERICA	Penta International Corporation

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	127.20973205566
Specific gravity	@ 20 °C
Pounds per Gallon	8.081 to 8.131
Refractive Index	1.513 to 1.519 @ 20 °C
Boiling Point	182 to 183°C @ 760 mm Hg
Boiling Point	57 to 58°C @ 3 mm Hg
Vapor Pressure	1.087 mmHg @ 25 °C
Flash Point TCC Value	57.78 °C TCC
logP (o/w)	3.014 est
Solubility
alcohol	Yes
water, 160 mg/L @ 20 °C (exp)	Yes
water	No

Organoleptic Properties

Odor Type: Mustard
mustard, horseradish
General comment	At 0.01 % in propylene glycol. mustard horseradish

Occurrences

Potential Uses

Applications	flavoring agents
Flavoring purposes	Wasabi

Safety Information

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

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 ppm	average maximum ppm
baked goods:		-	-
beverages(nonalcoholic):		1.00000	10.00000
beverages(alcoholic):		1.00000	10.00000
breakfast cereal:		-	-
cheese:		0.50000	5.00000
chewing gum:		5.00000	50.00000
condiments / relishes:		100.00000	700.00000
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	-
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		3.00000	30.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	-
nut products:		0.50000	5.00000
other grains:		0.50000	2.50000
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		10.00000	100.00000
snack foods:		2.00000	20.00000
soft candy:		3.00000	30.00000
soups:		0.50000	5.00000
sugar substitutes:		-	-
sweet sauces:		-	-

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