9-Hydroxy-2-decenoic acid

Base Information

• Chemical Name: 9-Hydroxy-2-decenoic acid
• CAS No.: 4448-33-3
• Molecular Formula: C10H18O3
• Molecular Weight: 186.251
• DSSTox Substance ID: DTXSID10706662,DTXSID101311920
• Mol file: 4448-33-3.mol

Synonyms:9-Hydroxy-2-decenoic acid;9-hydroxydec-2-enoic acid;DTXSID10706662;DTXSID101311920;1422-28-2

Chemical Property of 9-Hydroxy-2-decenoic acid

Chemical Property:

• Vapor Pressure: 2.87E-06mmHg at 25°C
• Boiling Point: 349.3oC at 760 mmHg
• Flash Point: 179.3oC
• PSA: 57.53000
• Density: 1.036g/cm3
• LogP: 1.95850
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 186.125594432
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCCCC=CC(=O)O)O

Technology Process of 9-Hydroxy-2-decenoic acid

There total 2 articles about 9-Hydroxy-2-decenoic 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:

7-chloroheptanoic acid (821-57-8) → (E)-(+/-)-9-Hydroxy-2-decensaeure (4448-33-3)

Guidance literature:

Multi-step reaction with 4 steps

1: (i) SOCl₂, (ii) Br₂, (iii) H₂O

2: KOtBu / 2-methyl-propan-2-ol

3: NaI, NaOEt

4: NaBH₄, NaOH / methanol

With sodium hydroxide; sodium tetrahydroborate; potassium tert-butylate; sodium ethanolate; sodium iodide; In methanol; tert-butyl alcohol;

Reference yield:

(E)-9-oxo-dec-2-enoic acid (334-20-3,2575-01-1,29282-32-4) → (E)-(+/-)-9-Hydroxy-2-decensaeure (4448-33-3)

Guidance literature:

Multistep reaction; (i) NaOH, MeOH, (ii) NaBH₄, MeOH;

Reference yield: 85.0%

(E)-(+/-)-9-Hydroxy-2-decensaeure (4448-33-3) → (E)-9-oxo-dec-2-enoic acid (334-20-3,2575-01-1,29282-32-4)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; at 50 ℃; for 1h;

DOI:10.1023/A:1019683830012

upstream raw materials:

(E)-9-oxo-dec-2-enoic acid

7-chloroheptanoic acid

Downstream raw materials:

(E)-9-oxo-dec-2-enoic acid