4-Hexylphenol

Base Information

• Chemical Name: 4-Hexylphenol
• CAS No.: 2446-69-7
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• Hs Code.: 29071990
• European Community (EC) Number: 219-501-2
• UNII: 3V1KE0N8D5
• DSSTox Substance ID: DTXSID5062425
• Nikkaji Number: J141.390B
• Wikidata: Q27116069
• Mol file: 2446-69-7.mol

Synonyms:4-HEXYLPHENOL;2446-69-7;4-n-Hexylphenol;Phenol, 4-hexyl-;p-Hexylphenol;p-n-Hexylphenol;Phenol, p-hexyl-;UNII-3V1KE0N8D5;3V1KE0N8D5;EINECS 219-501-2;4-HEXYLBENZOLOL;4-Hexylphenol, AldrichCPR;BIDD:ER0077;SCHEMBL152397;DTXSID5062425;CHEBI:34439;MFCD00051313;AKOS002685652;4-Hexylphenol, >=98.0% (HPLC);BS-43829;EU-0034692;FT-0619174;H0611;D90917;SR-01000398912;SR-01000398912-1;W-107315;Q27116069

Chemical Property of 4-Hexylphenol

Chemical Property:

• Vapor Pressure: 0.00212mmHg at 25°C
• Melting Point: 32 °C
• Refractive Index: 1.514
• Boiling Point: 281.19 °C at 760 mmHg
• PKA: 10.18±0.15(Predicted)
• Flash Point: 148.068 °C
• PSA: 20.23000
• Density: 0.955 g/cm³
• LogP: 3.51500
• Water Solubility.: 28.57mg/L(25 oC)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 114

Purity/Quality:

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

4-Hexylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-41
• Safety Statements: 45-36/37/39-26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=CC=C(C=C1)O

Technology Process of 4-Hexylphenol

There total 25 articles about 4-Hexylphenol 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%

C19H24O → p-hexylphenol (2446-69-7)

Guidance literature:

With aluminium trichloride; dodecyl methyl sulfide; at 0 - 20 ℃; for 1h;

DOI:10.1002/hc.20348

Reference yield: 99.0%

1-hexyl-4-methoxybenzene (81693-80-3) → p-hexylphenol (2446-69-7)

Guidance literature:

With aluminium trichloride; dodecyl methyl sulfide; at 0 - 20 ℃; for 3h;

DOI:10.1002/hc.20348

Reference yield: 97.0%

C14H22O2 → p-hexylphenol (2446-69-7)

Guidance literature:

With aluminium trichloride; dodecyl methyl sulfide; at 0 - 20 ℃; for 1h;

DOI:10.1002/hc.20348

upstream raw materials:

1-hexyl-4-methoxybenzene

((2E,4E)-4-Hexa-2,4-dienyl)-phenol

1-(4-hydroxy-phenyl)-hexan-1-one

hexanal

Downstream raw materials:

4-(4-hexylphenoxycarbonyl)benzaldehyde

Refernces

• 1、 Bai, Songlin,Gao, Yadong,Jiang, Chao,Liu, Xiaolei,Qi, Xiangbing,Wang, Jing,Wu, Qingcui,Yang, Chao. "Visible-Light-Induced Nickel-Catalyzed Cross-Coupling with Alkylzirconocenes from Unactivated Alkenes". supporting information. p. 675 - 688. Retrieved 2020/03/11.
• 2、 Node, Manabu,Kajimoto, Tetsuya. "Development of odorless organosulfur reagents and asymmetric reaction using odorless thiols". . p. 572 - 583. Retrieved 2008/02/08.