Undecylbenzene

Base Information

• Chemical Name: Undecylbenzene
• CAS No.: 6742-54-7
• Molecular Formula: C17H28
• Molecular Weight: 232.409
• Hs Code.: 2902909090
• European Community (EC) Number: 267-051-0,229-806-2,603-362-3
• NSC Number: 251008
• UNII: 8C9LPO3Q9T
• DSSTox Substance ID: DTXSID3029281
• Nikkaji Number: J141.239F
• Wikidata: Q27270180
• ChEMBL ID: CHEMBL3182307
• Mol file: 6742-54-7.mol

Synonyms:UNDECYLBENZENE;1-Phenylundecane;6742-54-7;Benzene, undecyl-;n-Undecylbenzene;Undecanylbenzene;Undecane, 1-phenyl-;129813-58-7;67774-74-7;HSDB 5177;EINECS 229-806-2;UNII-8C9LPO3Q9T;NSC 251008;8C9LPO3Q9T;DTXSID3029281;EINECS 267-051-0;NSC-251008;EC 267-051-0;ScintiVerse™BD Cocktail;29463-63-6;Phenylundecane;undecyl-benzene;1-Phenylundecane, 99%;C(CCCCCCCCCC)c1ccccc1;UNDECYLBENZENE [HSDB];DTXCID109281;CHEMBL3182307;Benceno, c10-13-alquil derivados;Tox21_200115;MFCD00026549;NSC251008;AKOS015902390;NCGC00248531-01;NCGC00257669-01;BS-22721;CAS-6742-54-7;LS-195384;CS-0204316;U0010;D92748;Q27270180

Chemical Property of Undecylbenzene

Chemical Property:

• Appearance/Colour: liquid
• Melting Point: −5 °C(lit.)
• Refractive Index: n20/D 1.482(lit.)
• Boiling Point: 316 °C(lit.)
• Flash Point: > 230 C
• PSA: 0.00000
• Density: 0.855 g/mL at 25 °C(lit.)
• LogP: 5.75990
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 10
• Exact Mass: 232.219100893
• Heavy Atom Count: 17
• Complexity: 144

Purity/Quality:

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

Undecylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 2044467
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 24/25-61-60

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB,Other Classes -> Aromatic Hydrocarbons
• Canonical SMILES: CCCCCCCCCCCC1=CC=CC=C1

Technology Process of Undecylbenzene

There total 45 articles about Undecylbenzene 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%

O-phenyl O-(1-phenylundecyl) carbonothioate (1424273-59-5) → undecylbenzene (6742-54-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; at 90 ℃; for 1h; Solvent; Inert atmosphere;

DOI:10.1016/j.tet.2013.01.030

Reference yield: 96.0%

1-iodo-n-undecane (4282-44-4) + phenylmagnesium bromide → undecylbenzene (6742-54-7)

Guidance literature:

[Li(tmeda)]2[Fe(C₂H₄)4]; In tetrahydrofuran; at -20 ℃;

DOI:10.1002/anie.200460504

Reference yield: 89.0%

iodobenzene (591-50-4) + lauric anhydride (645-66-9) → undecylbenzene (6742-54-7)

Guidance literature:

With pyridine N-oxide; [2,2]bipyridinyl; potassium fluoride; lithium chloride; nickel dichloride; zinc; In N,N-dimethyl acetamide; at 0 - 25 ℃; for 24h;

DOI:10.1021/acscatal.8b03396

upstream raw materials:

decyl chloride

toluene

bromobenzene

undecylaldehyde

Downstream raw materials:

Phenyl-(4-undecyl-phenyl)-methanone

C₂₃H₃₂N₂O

C₅₄H₆₅N₅O₆

4-undecylaniline

Refernces

• 1、 Babu, Reshma,Balaraman, Ekambaram,Midya, Siba P.,Subaramanian, Murugan,Yadav, Vinita. "Tandem Acceptorless Dehydrogenative Coupling-Decyanation under Nickel Catalysis". . p. 7552 - 7562. Retrieved 2021/06/28.
• 2、 Zhao, Tingting,Li, Fuwei,Yu, Hongchang,Ding, Shilei,Li, Zhixia,Huang, Xinyuan,Li, Xiang,Wei, Xiaohan,Wang, Zhenlin,Lin, Hongfei. "Synthesis of mesoporous ZSM-5 zeolites and catalytic cracking of ethanol and oleic acid into light olefins". . p. 101 - 110. Retrieved 2019/02/24.