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49776-81-0

6-isothiocyanatohex-1-ene is an organic chemical compound with the molecular formula C7H11NS. It is a colorless to pale yellow liquid with a pungent odor, and it is derived from the reaction of 6-hexen-1-ol with phosgene and ammonium thiocyanate. 6-isothiocyanatohex-1-ene is primarily used as a synthetic intermediate in the production of various agrochemicals, pharmaceuticals, and other specialty chemicals. It is also known for its potential use as a flavoring agent and a precursor in the synthesis of certain pesticides. Due to its reactivity, 6-isothiocyanatohex-1-ene requires careful handling and is typically stored under controlled conditions to prevent decomposition or unwanted reactions.

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  • 49776-81-0 Structure

  • Basic information

    1. Product Name: 6-isothiocyanatohex-1-ene
    2. Synonyms: 1-hexene, 6-isothiocyanato-
    3. CAS NO:49776-81-0
    4. Molecular Formula: C7H11NS
    5. Molecular Weight: 141.2339
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 49776-81-0.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 213°C at 760 mmHg
    3. Flash Point: 78.9°C
    4. Appearance: N/A
    5. Density: 0.89g/cm3
    6. Vapor Pressure: 0.245mmHg at 25°C
    7. Refractive Index: 1.483
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 6-isothiocyanatohex-1-ene(CAS DataBase Reference)
    11. NIST Chemistry Reference: 6-isothiocyanatohex-1-ene(49776-81-0)
    12. EPA Substance Registry System: 6-isothiocyanatohex-1-ene(49776-81-0)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 49776-81-0(Hazardous Substances Data)

49776-81-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 49776-81-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,9,7,7 and 6 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 49776-81:
(7*4)+(6*9)+(5*7)+(4*7)+(3*6)+(2*8)+(1*1)=180
180 % 10 = 0
So 49776-81-0 is a valid CAS Registry Number.

49776-81-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-isothiocyanatohex-1-ene

1.2 Other means of identification

Product number -
Other names 5-HEXEN-1-YL ISOTHIOCYANATE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:49776-81-0 SDS

49776-81-0Relevant 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

Terada, Yuko,Masuda, Hideki,Watanabe, Tatsuo

, p. 1937 - 1941 (2015/09/08)

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).

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