1-Undecanol

Base Information

• Chemical Name: 1-Undecanol
• CAS No.: 112-42-5
• Molecular Formula: C11H24 O
• Molecular Weight: 172.311
• Hs Code.: 2905199090
• European Community (EC) Number: 203-970-5,250-092-3
• ICSC Number: 1539
• NSC Number: 403667
• UN Number: 3082
• UNII: 06MJ0P28T3
• DSSTox Substance ID: DTXSID0026915
• Nikkaji Number: J5.126H
• Wikipedia: Undecanol
• Wikidata: Q161686
• Metabolomics Workbench ID: 3234
• ChEMBL ID: CHEMBL444525
• Mol file: 112-42-5.mol

Synonyms:1-UNDECANOL;Undecan-1-ol;Undecyl alcohol;112-42-5;Undecanol;n-Undecanol;n-Undecyl alcohol;1-Hendecanol;Hendecanoic alcohol;Hendecyl alcohol;Alcohol C-11;n-Hendecylenic alcohol;Tip-Nip;1-Undecyl alcohol;n-Undecan-1-ol;Decyl carbinol;C11 alcohol;Neodol 1;FEMA No. 3097;Alcohol, undecyl;Alcohol C11;Undecanol-(1);NSC 403667;HSDB 1089;EINECS 203-970-5;BRN 1698334;Decane, hydroxymethyl deriv.;UNII-06MJ0P28T3;AI3-00330;DTXSID0026915;CHEBI:87499;06MJ0P28T3;NSC-403667;EC 203-970-5;4-01-00-01835 (Beilstein Handbook Reference);DTXCID706915;143819-62-9;CAS-112-42-5;UMQ;UNA;HENDECANOL;Undcanol;1-Hydroxyundecane;Neoflex 11;Alchem 11;Undecan- 1- ol;Pri-n-undecyl alcohol;undecan - 1 - ol;C(CCCCC)CCCCCO;1-Undecanol, 99%;Dlcohol c-11 undecylic;1-UNDECANOL [HSDB];SCHEMBL20655;n-C11H23OH;Undecyl alcohol, 97%, FG;Undecyl alcohol (6CI 8CI);UNDECYL ALCOHOL [FCC];UNDECYL ALCOHOL [FHFI];UNDECYL ALCOHOL [INCI];CHEMBL444525;AMY5947;Tox21_201585;Tox21_300548;LMFA05000144;MFCD00004751;NSC403667;s9450;STL280304;AKOS009031434;ALCOHOL C-11 (1-UNDECANOL);CS-W004292;HY-W004292;LS-3149;6-(methylamino)pyridin-3-ylboronic?acid;NCGC00164024-01;NCGC00164024-02;NCGC00164024-03;NCGC00254401-01;NCGC00259134-01;1-Undecanol, purum, >=98.0% (GC);BP-31088;FT-0608326;U0005;EN300-20041;Q161686;J-002774;F8881-3903;Z104476546

Chemical Property of 1-Undecanol

Chemical Property:

• Appearance/Colour: colourless liquid
• Melting Point: 11 C
• Boiling Point: 146 C at 30 mm Hg
• Flash Point: 113 ºC
• PSA: 20.23000
• Density: 0.831
• LogP: 3.50950
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 172.182715385
• Heavy Atom Count: 12
• Complexity: 71.4
• Transport DOT Label: Class 9

Purity/Quality:

98%, ^*data from raw suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCCCCCCCCCCO
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is severely irritating to the eyes. The substance is irritating to the skin and respiratory tract.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking.

Technology Process of 1-Undecanol

There total 127 articles about 1-Undecanol 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: 87.0%

C30H38O (78371-02-5) → triphenylmethyl alcohol (76-84-6) + undecyl alcohol (112-42-5) + triphenylmethane (519-73-3)

Guidance literature:

With Methyltrichlorosilane; sodium iodide; In acetonitrile; at 25 ℃; for 3h; Yields of byproduct given;

DOI:10.1021/jo00169a010

Reference yield: 87.0%

C30H38O (78371-02-5) → triphenylmethyl alcohol (76-84-6) + undecyl alcohol (112-42-5) + triphenylmethane (519-73-3) + trityl iodide (2206-53-3)

Guidance literature:

With Methyltrichlorosilane; sodium iodide; In acetonitrile; at 25 ℃; for 3h; Yields of byproduct given;

Reference yield: 46.0%

1,2,3-trimethoxy-5-((undecyloxy)methyl)benzene (1426824-96-5) → undecyl alcohol (112-42-5) + 3,4,5-trimethoxytoluene (6443-69-2)

Guidance literature:

With N¹,N¹,N¹²,N¹²-tetramethyl-7,8-dihydro-6H-dipyrido[1,2-a:2,1'-c][1,4]diazepine-2,12-diamine; In N,N-dimethyl-formamide; for 72h; Inert atmosphere; Glovebox; UV-irradiation;

DOI:10.1002/anie.201208066

upstream raw materials:

methanol

potassium laurate

bromoundecane

silver(I) acetate

Downstream raw materials:

3,5-dinitro-benzoic acid undecyl ester

phthalic acid monoundecyl ester

p-nitrophenyl laurate

valeric acid undecyl ester

Refernces

• 1、 Takahashi, Kohei,Yamashita, Makoto,Ichihara, Takeo,Nakano, Koji,Nozaki, Kyoko. "High-yielding tandem hydroformylation/hydrogenation of a terminal olefin to produce a linear alcohol using a Rh/Ru dual catalyst system". . p. 4488 - 4490. Retrieved 2010.
• 2、 Parker et al.. "-". . p. 323,326. Retrieved 1958.
• 3、 Takahashi, Kohei,Nozaki, Kyoko. "Ruthenium catalyzed hydrogenation of aldehyde with synthesis gas". . p. 5846 - 5849. Retrieved 2014.
• 4、 Ames,D.E. et al.. "-". . p. 5889 - 5893. Retrieved 1963.
• 5、 Kania, Nicolas,Gokulakrishnan, Narasimhan,Leger, Bastien,Fourmentin, Sophie,Monflier, Eric,Ponchel, Anne. "Scope and limitation of activated carbons in aqueous organometallic catalysis". . p. 208 - 218. Retrieved 2011.
• 6、 Caron, Laurent,Bricout, Herve,Tilloy, Sebastien,Ponchel, Anne,Landy, David,Fourmentin, Sophie,Monflier, Eric. "Molecular recognition between a water-soluble organometallic complex and a β-cyclodextrin: First example of second-sphere coordination adducts possessing a catalytic activity". . p. 1449 - 1456. Retrieved 2004.
• 7、 Chen, Junjun,Hua, Kaimin,Liu, Xiaofang,Deng, Yuchao,Wei, Baiyin,Wang, Hui,Sun, Yuhan. "Selective Production of Linear Aldehydes and Alcohols from Alkenes using Formic Acid as Syngas Surrogate". . p. 9919 - 9924. Retrieved 2021/05/31.
• 8、 Bhunia, Anup,Bergander, Klaus,Daniliuc, Constantin Gabriel,Studer, Armido. "Fe-Catalyzed Anaerobic Mukaiyama-Type Hydration of Alkenes using Nitroarenes". supporting information. p. 8313 - 8320. Retrieved 2021/03/08.