Ethyl 9-hydroxynonanoate

Base Information

• Chemical Name: Ethyl 9-hydroxynonanoate
• CAS No.: 3639-34-7
• Molecular Formula: C11H22O3
• Molecular Weight: 202.294
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID70394221
• Nikkaji Number: J2.834.752I
• Mol file: 3639-34-7.mol

Synonyms:Ethyl 9-hydroxynonanoate;8-ETHOXYCARBONYLOCTANOL;3639-34-7;ethyl-9-hydroxynonanoate;8-ethoxycarbonyl-1-octanol;SCHEMBL1896403;DTXSID70394221;MNWRYCGYJOYZEI-UHFFFAOYSA-N;9-Hydroxynonanoic acid ethyl ester;9-Hydroxy-nonanoic AcidEthyl Ester;AKOS030240284;FT-0621532

Chemical Property of Ethyl 9-hydroxynonanoate

Chemical Property:

• Vapor Pressure: 0.000601mmHg at 25°C
• Boiling Point: 276.4°C at 760 mmHg
• Flash Point: 104.5°C
• PSA: 46.53000
• Density: 0.958g/cm³
• LogP: 2.27250
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 202.15689456
• Heavy Atom Count: 14
• Complexity: 135

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

8-Ethoxycarbonyloctanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCCCO
• Uses: A volatile hydroxy component of Albana wine.

Technology Process of Ethyl 9-hydroxynonanoate

There total 1 articles about Ethyl 9-hydroxynonanoate 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%

ethanol (64-17-5) + 9-hydroxynonanoic acid (3788-56-5) → 8-ethoxycarbonyloctanol (3639-34-7)

Guidance literature:

With sulfuric acid;

DOI:10.1007/BF00960290

Reference yield: 99.5%

8-ethoxycarbonyloctanol (3639-34-7) + 2,3,4-tri-O-benzoyl-α-L-rhamnopyranosyl bromide (14218-08-7,41881-44-1,53297-33-9,60820-93-1,61198-82-1,67986-91-8,73068-86-7,131897-72-8,131897-73-9) → 8-ethoxycarbonyloct-1-yl 2,3,4-tri-O-benzoyl-α-L-rhamnopyranoside (90662-44-5)

Guidance literature:

With 4 A molecular sieve; mercury(II) cyanide; In dichloromethane; at 20 ℃; for 72h;

Reference yield: 85.0%

8-ethoxycarbonyloctanol (3639-34-7) + O-(2,3,4,6-tetra-O-benzyl-α-D-galactopyranosyl)-(1->3)-O-(2,4,6-tri-O-benzyl-β-D-galactopyranosyl)-(1->4)-(2-azido-3,6-di-O-benzyl-2-deoxy-β-D-glucopyranosyl) trichloroacetimidate → 8-(ethoxycarbonyl)octyl O-(2,3,4,6-tetra-O-benzyl-α-D-galactopyranosyl)-(1->3)-O-(2,4,6-tri-O-benzyl-β-D-galactopyranosyl)-(1->4)-(2-azido-3,6-di-O-benzyl-2-deoxy-β-D-glucopyranoside)

Guidance literature:

With boron trifluoride diethyl etherate; In hexane; dichloromethane; at -15 ℃; for 5h;

upstream raw materials:

ethanol

9-hydroxynonanoic acid

Downstream raw materials:

8-Ethoxycarbonyloctyl-6-O-acetyl-2,3,4-tri-O-benzyl-β-D-mannopyranosid

8-Ethoxycarbonyloctyl-6-O-acetyl-2,3,4-tri-O-benzyl-α-D-mannopyranosid

8-ethoxycarbonyloctyl 3,6-di-O-allyl-2,4-di-O-benzyl-β-D-mannopyranoside

8-ethoxycarbonyloctyl 3,6-di-O-allyl-2,4-di-O-benzyl-α-D-mannopyranoside

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