(2-Allyl-phenoxy)-acetic acid

Base Information

• Chemical Name: (2-Allyl-phenoxy)-acetic acid
• CAS No.: 6627-85-6
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• Hs Code.: 2918990090
• European Community (EC) Number: 667-949-6
• NSC Number: 60239
• DSSTox Substance ID: DTXSID10289309
• Nikkaji Number: J907.654I
• Wikidata: Q82026547
• ChEMBL ID: CHEMBL1522048
• Mol file: 6627-85-6.mol

Synonyms:(2-Allyl-phenoxy)-acetic acid;6627-85-6;(2-Allylphenoxy)acetic acid;2-(2-prop-2-enylphenoxy)acetic acid;MLS000737364;MFCD00090833;NSC 60239;2-(2-Allylphenoxy)acetic acid;NSC60239;[2-(prop-2-en-1-yl)phenoxy]acetic acid;Cambridge id 5211663;CBDivE_005742;(2-Allyl-phenoxy)acetic acid;SCHEMBL869669;CHEMBL1522048;DTXSID10289309;HMS2764F18;NSC-60239;STK325195;AKOS003238612;GX-0201;SMR000102813;2-[2-(prop-2-en-1-yl)phenoxy]acetic acid;CS-0267270;Z147642680

Chemical Property of (2-Allyl-phenoxy)-acetic acid

Chemical Property:

• Vapor Pressure: 0.000231mmHg at 25°C
• Melting Point: 181-183 °C
• Boiling Point: 312.1°Cat760mmHg
• PKA: 3.21±0.10(Predicted)
• Flash Point: 119.8°C
• PSA: 46.53000
• Density: 1.137g/cm³
• LogP: 1.87850
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

(2-Allylphenoxy)acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1=CC=CC=C1OCC(=O)O

Technology Process of (2-Allyl-phenoxy)-acetic acid

There total 2 articles about (2-Allyl-phenoxy)-acetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 50.0%

chloroacetic acid (79-11-8) + o-Allylphenol (1745-81-9) → (2-allyl-phenoxy)-acetic acid (6627-85-6)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1016/S0040-4020(97)10084-9

Reference yield:

→ (2-allyl-phenoxy)-acetic acid (6627-85-6)

Guidance literature:

Reference yield:

(2-allyl-phenoxy)-acetic acid (6627-85-6) → 2-allylanisole (3698-28-0) + 3-methylisochroman (70401-56-8) + o-Allylphenol (1745-81-9)

Guidance literature:

methylene blue; In water; benzene; Yield given. Yields of byproduct given; Irradiation;

DOI:10.1016/0040-4039(94)02471-M

upstream raw materials:

chloroacetic acid

o-Allylphenol

Downstream raw materials:

2-allylanisole

3-methylisochroman

o-Allylphenol

carbon dioxide