5-Undecanol

Base Information

• Chemical Name: 5-Undecanol
• CAS No.: 37493-70-2
• Molecular Formula: C11H24 O
• Molecular Weight: 172.311
• Hs Code.: 2905199090
• European Community (EC) Number: 253-529-6
• NSC Number: 158512
• DSSTox Substance ID: DTXSID50871383
• Nikkaji Number: J112.110C
• Wikidata: Q106902813
• Mol file: 37493-70-2.mol

Synonyms:5-Undecanol;37493-70-2;Undecan-5-ol;Undecanol-5;n-Butyl n-hexyl carbinol;EINECS 253-529-6;AI3-35683;NSC158512;C(CCCCC)C(O)CCCC;SCHEMBL378689;DTXSID50871383;MFCD00046719;AKOS009157790;NSC 158512;NSC-158512;CS-0206799;FT-0620786;U0039;D92757

Chemical Property of 5-Undecanol

Chemical Property:

• Vapor Pressure: 0.0132mmHg at 25°C
• Melting Point: -4°C
• Refractive Index: 1.4362
• Boiling Point: 139-140°C 17mm
• PKA: 15.44±0.20(Predicted)
• Flash Point: 94°C
• PSA: 20.23000
• Density: 0.828g/cm³
• LogP: 3.50790
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 172.182715385
• Heavy Atom Count: 12
• Complexity: 81.1

Purity/Quality:

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

5-Undecanol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CCCC)O

Technology Process of 5-Undecanol

There total 20 articles about 5-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: 93.0%

heptanal (111-71-7) + n-butylmanganese (II) bromide (105486-12-2) → undecan-5-ol (37493-70-2)

Guidance literature:

With PentCOMe; In diethyl ether; Product distribution; Ambient temperature; other ketones;

DOI:10.1016/S0040-4039(00)84974-6

Reference yield: 90.0%

heptanal (111-71-7) + BuMnCl (88626-90-8) → undecan-5-ol (37493-70-2)

Guidance literature:

With PentCOMe; In tetrahydrofuran; Ambient temperature;

DOI:10.1016/S0040-4039(00)84974-6

Reference yield: 59.0%

1-iodo-butane (542-69-8) + heptanal (111-71-7) → undecan-5-ol (37493-70-2)

Guidance literature:

With (η5-C5H5)2Sm; oxonium; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1016/S0022-328X(00)99769-9

upstream raw materials:

n-butyl magnesium bromide

heptanal

n-butylmagnesium iodide

undecan-5-one

Downstream raw materials:

undecan-5-one