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Phenyl 4-chlorobutyrate, with the molecular formula C10H11ClO2, is an ester derived from an alcohol and an organic acid. It is a colorless liquid characterized by a fruity odor, making it a valuable component in various industrial applications.

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  • 54839-22-4 Structure
  • Basic information

    1. Product Name: phenyl 4-chlorobutyrate
    2. Synonyms: PGNJLBWZQUKEHW-UHFFFAOYSA-N
    3. CAS NO:54839-22-4
    4. Molecular Formula: C10H11ClO2
    5. Molecular Weight: 198.6461
    6. EINECS: 259-369-3
    7. Product Categories: N/A
    8. Mol File: 54839-22-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 293.2°C at 760 mmHg
    3. Flash Point: 143.7°C
    4. Appearance: /
    5. Density: 1.158g/cm3
    6. Vapor Pressure: 0.00175mmHg at 25°C
    7. Refractive Index: 1.515
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: phenyl 4-chlorobutyrate(CAS DataBase Reference)
    11. NIST Chemistry Reference: phenyl 4-chlorobutyrate(54839-22-4)
    12. EPA Substance Registry System: phenyl 4-chlorobutyrate(54839-22-4)
  • 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: 54839-22-4(Hazardous Substances Data)

54839-22-4 Usage

Uses

Used in Food and Beverage Industry:
Phenyl 4-chlorobutyrate is utilized as a flavoring agent for its distinctive fruity scent, enhancing the taste and aroma profiles of various food and drink products.
Used in Perfume and Fragrance Industry:
This chemical compound serves as a key ingredient in the production of perfumes and fragrances, contributing to the creation of complex and appealing scents.
Used in Chemical Manufacturing:
Phenyl 4-chlorobutyrate is employed as an intermediate in the synthesis of other organic compounds, showcasing its versatility as a building block in chemical processes.

Check Digit Verification of cas no

The CAS Registry Mumber 54839-22-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,4,8,3 and 9 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 54839-22:
(7*5)+(6*4)+(5*8)+(4*3)+(3*9)+(2*2)+(1*2)=144
144 % 10 = 4
So 54839-22-4 is a valid CAS Registry Number.
InChI:InChI=1/C10H11ClO2/c11-8-4-7-10(12)13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

54839-22-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name phenyl 4-chlorobutanoate

1.2 Other means of identification

Product number -
Other names phenyl p-chlorobenzoate

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:54839-22-4 SDS

54839-22-4Downstream Products

54839-22-4Relevant articles and documents

Insight into the mechanism and stereochemistry of the transformations of alkyltitanium Ate-Complexes. An enhanced enantioselectivity in the cyclopropanation of the carboxylic esters with titanacyclopropane reagents

Kulinkovich, Oleg G.,Kananovich, Dzmitry G.,Lopp, Margus,Snieckus, Victor

supporting information, p. 3615 - 3626 (2015/01/16)

The dependence of the stereoselectivity of the cyclopropanation reaction of g,g-diphenyl-g-butyrolactone and carboxylic esters with alkylmagnesium bromides in the presence of titanium(IV) TADDOLates on the structure of the reactants has been examined in d

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