18060-79-2

Basic information

• Product Name: ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER
• Synonyms: 4-PENTEN-1-YL ISOTHIOCYANATE;ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER;Isothiocyanicacidpentenylester, 95%;ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER 95+%;4-pentenylisothiocyanate,5-isothiocyano-1-pentene,4-pentenylesterisothiocyanicacid;1-Pentene, 5-isothiocyanato-;4-PENTENYLISOTHIOCYANATE;5-Isothiocyanato-1-pentene
• CAS NO: 18060-79-2
• Molecular Formula: C6H9NS
• Molecular Weight: 127.21
• Mol File: 18060-79-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 194 °C
• Flash Point: 57.8 °C
• Appearance: /
• Density: 0.97
• Vapor Pressure: 1.09mmHg at 25°C
• Refractive Index: 1.5150-1.5190
• Storage Temp.: Hygroscopic, Refrigerator, Under inert atmosphere
• Solubility: Chloroform (Soluble), Hexanes (Slightly)
• Stability: Hygroscopic, Moisture Sensitive
• CAS DataBase Reference: ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER(18060-79-2)
• EPA Substance Registry System: ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER(18060-79-2)

Safety Data

• Statements: 36
• Safety Statements: 26
• RIDADR: 1992
• HazardClass: 3/6.1
• PackingGroup: III
• Hazardous Substances Data: 18060-79-2(Hazardous Substances Data)

Usage

Description

ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER, also known as mustard oil, is a colorless to pale yellow liquid with a strong, pungent, and irritating aroma. It is characterized by its very high strength odor, which is recommended to be smelled in a 0.01% solution or less. ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER is found in mustard oil and is known for its unique chemical properties.

Uses

Used in Flavor Industry:
ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER is used as a flavoring agent for its strong and pungent aroma. The compound is utilized in the creation of various flavors, particularly those with a mustard-like taste, due to its unique and intense odor.
Used in Aromatherapy:
In the field of aromatherapy, ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER is used as an essential oil for its stimulating and invigorating properties. The strong aroma of this compound can help to uplift the mood and provide a sense of energy when used in aromatherapy practices.
Used in Chemical Research:
ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER is also used as a research compound in the field of chemistry. Its unique chemical properties make it an interesting subject for study, and it can be used to explore various chemical reactions and processes.
Used in Analytical Chemistry:
ISOTHIOCYANIC ACID 4-PENTEN-1-YL ESTER is used as an analytical reagent in the field of analytical chemistry. Its strong odor and high aroma threshold value make it a useful tool for detecting and identifying specific substances in various samples.

InChI:InChI=1/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2

Upstream product

• 1119-51-3 bromopentene 
• 7736-25-6 2-(pent-4-enyl)-isoindoline-1,3-dione 
• 463-71-8 thiophosgene 
• 22537-07-1 4-pentenyl-1-amine 

Downstream Products

• 4430-42-6 berteroin 

Relevant articles and documents

Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard

Allyl isothiocyanate (ITC) (4) is the main pungent component in wasabi, and it generates an acrid sensation by activating TRPA1. The flavor and pungency of ITCs vary depending on the compound. However, the differences in activity to activate TRPA1 between ITCs are not known except for a few compounds. To investigate the effect of carbon chain length and substituents of ITCs, the TRPA1-activiting ability of 16 ITCs was measured. Since most of the ITCs showed nearly equal TRPA1-activiting potency, the ITC moiety is likely the predominant contributor to their TRPA1-activating abilities, and contributions of other functional groups to their activities to activate TRPA1 are comparatively small. (Figure Presented).

The potential of semiochemicals for control of Phorodon humuli (Homoptera: Aphididae)

Field experiments employing yellow water-traps with vials releasing methyl salicylate, butyl isothiocyanate, 4-pentenyl isothiocyanate and diethyltoluamide were conducted during the spring migration of Phorodon humuli (Schrank), with the aim of identifying substances which might be used in the field to deter landing on hop plants. Methyl salicylate and the two isothiocyanates reduced trap catches of P. humuli. During the spring of 1994 a slow-release formulation of methyl salicylate and a β-acid-rich hop resin sprayed on to hop plants did not reduce aphid infestations significantly. In autumn cis,cis-nepe-talactol, the main component of P. humuli's sex pheromone, prepared by various synthetic routes, increased trap catches of males and gynoparae equally. Catches of males in pheromone traps situated in a hop garden decreased with increasing trap height. Catches of males in traps charged with increasing doses of the cis,cis-nepetalactol peaked at 1 mg and then plateaued, whereas catches of gynoparae peaked similarly at 1 mg and then decreased. The effect of kairomones from an extract of the primary host, sex pheromone and a visual cue from yellow compared with clear water-traps were additive. The prospects for developing a semiochemicals-based control strategy against P. humuli, using some or all of the above elements, are discussed.