11-Hydroxyundecanoic acid

Base Information

• Chemical Name: 11-Hydroxyundecanoic acid
• CAS No.: 3669-80-5
• Molecular Formula: C11H22 O3
• Molecular Weight: 202.294
• Hs Code.: 29181998
• European Community (EC) Number: 222-932-9
• UNII: SD6J9LX2XK
• DSSTox Substance ID: DTXSID40190136
• Nikkaji Number: J205.584H
• Wikidata: Q27148186
• Metabolomics Workbench ID: 1311
• Mol file: 3669-80-5.mol

Synonyms:11-Hydroxyundecanoic acid;3669-80-5;Undecanoic acid, 11-hydroxy-;11-hydroxy-undecanoic acid;omega-hydroxy hendecanoic acid;SD6J9LX2XK;EINECS 222-932-9;UNII-SD6J9LX2XK;omega-hydroxyhendecanoic acid;11-HUDA;SCHEMBL275368;CHEBI:79126;DTXSID40190136;11-Hydroxyundecanoic acid, 96%;BBL100088;GEO-02638;LMFA01050035;MFCD00041564;STK090724;AKOS005394200;GS-0673;NCGC00339876-01;CS-0204838;FT-0634951;E84103;AB01332653-02;W-200327;Q27148186

Chemical Property of 11-Hydroxyundecanoic acid

Chemical Property:

• Appearance/Colour: WHITE POWDER AND CHUNKS
• Vapor Pressure: 4E-06mmHg at 25°C
• Melting Point: 65-69 °C
• Refractive Index: 1.4174 (estimate)
• Boiling Point: 345°Cat760mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 176.7°C
• PSA: 57.53000
• Density: 1g/cm³
• LogP: 2.57420
• Solubility.: Chloroform, DCM, Ethyl Acetate, Methanol
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 202.15689456
• Heavy Atom Count: 14
• Complexity: 135

Purity/Quality:

98%,99%, ^*data from raw suppliers

11-Hydroxyundecanoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCCCCO)CCCCC(=O)O
• Uses: 11-Hydroxyundecanoic acid can be prepared by employing the following starting reagents:10-undecenoic acidundecylenic acid and hydrobromic acidmethyl 11-bromoundecanoatericinoleic acid (12-hydroxyoleic acid)

Technology Process of 11-Hydroxyundecanoic acid

There total 38 articles about 11-Hydroxyundecanoic 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: 100.0%

11-bromoundecanoic acid (2834-05-1) → 11-hydroxyundecanoic acid (3669-80-5)

Guidance literature:

With potassium hydroxide; In water; for 3h; Reflux;

DOI:10.1039/c8md00582f

Reference yield: 95.0%

oxacyclododecan-2-one (1725-03-7) → 11-hydroxyundecanoic acid (3669-80-5)

Guidance literature:

With water;

Reference yield: 90.0%

11-(heptanoyloxy)undecanoic acid → 11-hydroxyundecanoic acid (3669-80-5)

Guidance literature:

With water; sodium hydroxide; In methanol; at 60 ℃; for 2.5h;

DOI:10.1039/c5gc01017a

upstream raw materials:

11-hydroxy-undecanenitrile

11-bromoundecanoic acid

methyl 11-hydroxyundecanoate

11-bromoundecanoic acid ethyl ester

Downstream raw materials:

oxacyclododecan-2-one

11-chloroundecanoic acid

undecanedioic acid

1,13-dioxa-cyclotetracosane-2,14-dione

Refernces

• 1、 Chen, Qi,Chong, Gang-Gang,Dong, Ya-Li,Li, Ai-Tao,Li, Chun-Xiu,Pan, Jiang,Xu, Jian-He. "Carving the Active Site of CYP153A7 Monooxygenase for Improving Terminal Hydroxylation of Medium-Chain Fatty Acids". . . Retrieved 2022/03/31.
• 2、 Woolley, Krystel L.,Nadikudi, Monila,Koupaei, Mitra N.,Corban, Monika,McCartney, Paul,Bissember, Alex C.,Lewis, Trevor W.,Gueven, Nuri,Smith, Jason A.. "Amide linked redox-active naphthoquinones for the treatment of mitochondrial dysfunction". supporting information. p. 399 - 412. Retrieved 2019/03/28.