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ETHYL 2-ISOCYANATOPROPIONATE, with the chemical formula C6H9NO3, is a clear, colorless liquid characterized by a pungent odor. This chemical compound is recognized for its role in the synthesis of various polymers, particularly polyurethanes and polyamides. Due to its potential to cause irritation to the skin, eyes, and respiratory system, as well as its capacity to elicit allergic reactions in some individuals, it is classified as an irritant. Moreover, it is acknowledged as a potential environmental hazard, necessitating careful handling and disposal in accordance with established regulations.

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  • 13794-28-0 Structure
  • Basic information

    1. Product Name: ETHYL 2-ISOCYANATOPROPIONATE
    2. Synonyms: ETHYL 2-ISOCYANATOPROPIONATE;2-Isocyanatopropionic acid ethyl ester;ethyl N-(oxomethylene)alaninate;ethyl 2-isocyanatopropanoate
    3. CAS NO:13794-28-0
    4. Molecular Formula: C6H9NO3
    5. Molecular Weight: 143.14
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 13794-28-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 68°C 3mm
    3. Flash Point: 92°C
    4. Appearance: /
    5. Density: 1,087 g/cm3
    6. Vapor Pressure: 1.82mmHg at 25°C
    7. Refractive Index: 1.4170
    8. Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
    9. Solubility: Chloroform, Dichloromethane (Slightly)
    10. Sensitive: Moisture Sensitive
    11. BRN: 1237510
    12. CAS DataBase Reference: ETHYL 2-ISOCYANATOPROPIONATE(CAS DataBase Reference)
    13. NIST Chemistry Reference: ETHYL 2-ISOCYANATOPROPIONATE(13794-28-0)
    14. EPA Substance Registry System: ETHYL 2-ISOCYANATOPROPIONATE(13794-28-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: 20/22-36/37/38-42
    3. Safety Statements: 23-26-36/37/39-45
    4. RIDADR: 2206
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: 6.1
    8. PackingGroup: III
    9. Hazardous Substances Data: 13794-28-0(Hazardous Substances Data)

13794-28-0 Usage

Uses

Used in Polymer Production Industry:
ETHYL 2-ISOCYANATOPROPIONATE is used as a monomer in the synthesis of polymers for its ability to contribute to the formation of polyurethanes and polyamides. These polymers are valued for their diverse applications, including in the production of plastics, coatings, adhesives, and elastomers, due to their desirable properties such as durability, flexibility, and resistance to various environmental factors.
Used in Chemical Synthesis:
ETHYL 2-ISOCYANATOPROPIONATE is utilized as a reactive intermediate in chemical synthesis processes, where it can be incorporated into the structure of various compounds to enhance their properties or to create new materials with specific characteristics. Its reactivity and versatility make it a valuable component in the development of novel chemical products and formulations.
Used in Research and Development:
In the scientific community, ETHYL 2-ISOCYANATOPROPIONATE serves as a key component in research and development efforts, particularly in the field of polymer chemistry. It is employed in experiments and studies aimed at understanding the behavior of isocyanate compounds and their potential applications in creating innovative materials and products.
Used in Environmental and Safety Regulations:
Given its classification as a potential environmental hazard, ETHYL 2-ISOCYANATOPROPIONATE is also used in the development and enforcement of environmental and safety regulations. These regulations aim to minimize the risks associated with its production, use, and disposal, ensuring the protection of both human health and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 13794-28-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,7,9 and 4 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 13794-28:
(7*1)+(6*3)+(5*7)+(4*9)+(3*4)+(2*2)+(1*8)=120
120 % 10 = 0
So 13794-28-0 is a valid CAS Registry Number.
InChI:InChI=1/C6H9NO3/c1-3-10-6(9)5(2)7-4-8/h5H,3H2,1-2H3

13794-28-0SDS

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 ETHYL 2-ISOCYANATOPROPIONATE

1.2 Other means of identification

Product number -
Other names ethyl 2-isocyanatopropanoate

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:13794-28-0 SDS

13794-28-0Relevant articles and documents

Tocainide conjugation in humans: novel biotransformation pathway for a primary amine

Elvin,Keenaghan,Byrnes,Tenthorey,McMaster,Takman,Lalka,Manion,Baer,Wolshin,Meyer,Ronfeld

, p. 47 - 49 (1980)

The metabolism of tocainide, an experimental antiarrhythmic drug, was studied in humans. Urinary excretion of unchanged drug was 28-55% in 24 hr after oral dosing. Urine hydrolysis with hydrochloric acid or β-glucuronidase increased tocainide recovery to 55-79%. Saccharo-1,4-lactone inhibited the β-glucuronidase-mediated tocainide recovery increase. Adjustment of urine to pH 13 produced a compound identified as 3-(2,6-xylyl)-5-methylhydantoin. Evidence suggests that it was derived from the same metabolite that formed the additional tocainide after acid or β-glucuronidase treatment. Tocainide carbamoyl O-β-D-glucuronide is the structure proposed for the metabolite. The suggested pathway for its formation involves the addition of carbon dioxide to the amino nitrogen of tocainide followed by uridine diphosphate-glucuronic acid conjugation.

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