2-[4-(Hexyloxy)phenyl]acetic acid

Base Information

• Chemical Name: 2-[4-(Hexyloxy)phenyl]acetic acid
• CAS No.: 60003-46-5
• Molecular Formula: C14H20O3
• Molecular Weight: 236.311
• DSSTox Substance ID: DTXSID10877604
• Nikkaji Number: J450.798C
• Wikidata: Q82859439
• Mol file: 60003-46-5.mol

Synonyms:2-[4-(hexyloxy)phenyl]acetic acid;60003-46-5;2-(4-hexoxyphenyl)acetic Acid;4-(Hexyloxy)phenylacetic acid;Benzeneacetic acid, 4-(hexyloxy)-;SCHEMBL11002800;DTXSID10877604;2-[4-(hexyloxy)phenyl]aceticacid;AKOS008119220;NCGC00186613-01;FT-0703995;EN300-52962;Z234893801

Chemical Property of 2-[4-(Hexyloxy)phenyl]acetic acid

Chemical Property:

• Vapor Pressure: 3.35E-06mmHg at 25°C
• Boiling Point: 372.3°Cat760mmHg
• Flash Point: 135°C
• PSA: 46.53000
• Density: 1.057g/cm³
• LogP: 3.27280
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 236.14124450
• Heavy Atom Count: 17
• Complexity: 208

Purity/Quality:

2-[4-(HEXYLOXY)PHENYL]ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)CC(=O)O

Technology Process of 2-[4-(Hexyloxy)phenyl]acetic acid

There total 8 articles about 2-[4-(Hexyloxy)phenyl]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: 94.0%

ethyl 2-(4-(n-hexyloxy)phenyl)acetate (15560-78-8) → 2-(4-(n-hexyloxy)phenyl)acetic acid (60003-46-5)

Guidance literature:

With water; sodium hydroxide; In 1,4-dioxane; at 60 ℃; for 2h; pH=10 - 14;

Reference yield:

4-hydroxyphenylacetate (156-38-7) → 2-(4-(n-hexyloxy)phenyl)acetic acid (60003-46-5)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethanol / Heating

2: 10M aq. NaOH / Heating

With potassium hydroxide; sodium hydroxide; In ethanol;

DOI:10.1246/cl.1993.1663

Reference yield:

1-bromo-hexane (111-25-1) → 2-(4-(n-hexyloxy)phenyl)acetic acid (60003-46-5)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethanol / Heating

2: 10M aq. NaOH / Heating

With potassium hydroxide; sodium hydroxide; In ethanol;

DOI:10.1246/cl.1993.1663

upstream raw materials:

4-(hexyloxy)benzaldehyde

4-hydroxyphenylacetate

1-bromo-hexane

1-(hexyloxy)-4-methylbenzene

Downstream raw materials:

4-Butyl-4'-hexyloxy-α-chlor-trans-stilben

(Pd(C₆H₃(O(CH₂)9CH₃)CHNC₆H₄O(CH₂)9CH₃)OCOCH₂C₆H₄O(CH₂)5CH₃)2

(Pd(C₆H₃(O(CH₂)5CH₃)CHNC₆H₄O(CH₂)5CH₃)OCOCH₂C₆H₄O(CH₂)5CH₃)2

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