2,4-Di-tert-pentylphenol

Base Information

• Chemical Name: 2,4-Di-tert-pentylphenol
• CAS No.: 120-95-6
• Molecular Formula: C16H26 O
• Molecular Weight: 234.382
• Hs Code.: 2907.19
• European Community (EC) Number: 204-439-0
• NSC Number: 158351
• UNII: 852F1HP88H
• DSSTox Substance ID: DTXSID9026974
• Nikkaji Number: J297.768K
• Wikidata: Q72470126
• ChEMBL ID: CHEMBL1890694
• Mol file: 120-95-6.mol

Synonyms:2,4-Di-tert-pentylphenol;120-95-6;2,4-Di-tert-amylphenol;Phenol, 2,4-bis(1,1-dimethylpropyl)-;2,4-Bis(1,1-dimethylpropyl)phenol;2,4-DI-T-PENTYLPHENOL;2,4-bis(2-methylbutan-2-yl)phenol;Di-tert-amylphenol;Phenol, 2,4-di-tert-pentyl-;Prodox 156;HSDB 5588;EINECS 204-439-0;NSC 158351;BRN 2370274;UNII-852F1HP88H;DTXSID9026974;852F1HP88H;2,4-di(1,1-dimethylpropyl)phenol;NSC-158351;3-06-00-02085 (Beilstein Handbook Reference);DTXCID106974;CAS-120-95-6;2,4-di-t-amylphenol;2,4-di-t-amyl phenol;2,4-di-tert-Pentylphenyl;Phenol,4-di-tert-pentyl-;2,4-di-(tert-amyl)phenol;SCHEMBL80891;CHEMBL1890694;WMVJWKURWRGJCI-UHFFFAOYSA-;2,4-Di-tert-amylphenol, 99%;2,4-BIS(TERT-PENTYL)PHENOL;Tox21_202168;Tox21_300090;MFCD00041929;NSC158351;Phenol,4-bis(1,1-dimethylpropyl)-;2,4-bis-(1,1-Dimethylpropyl)phenol;AKOS009028944;2,4-DI-T-PENTYLPHENOL [HSDB];NCGC00164151-01;NCGC00164151-02;NCGC00164151-03;NCGC00254009-01;NCGC00259717-01;C(C)(C)(CC)c1cc(ccc1O)C(C)(C)CC;LS-104578;CS-0196566;D3294;D5320;FT-0657965;EN300-19233;D78380;A804626;W-108467

Chemical Property of 2,4-Di-tert-pentylphenol

Chemical Property:

• Appearance/Colour: clear to pale yellow semi soild
• Vapor Pressure: 0.00167mmHg at 25°C
• Melting Point: 23 - 25 C
• Refractive Index: 1.506-1.508
• Boiling Point: 234 - 235 C
• PKA: 11.00±0.31(Predicted)
• Flash Point: 143 ºC
• PSA: 20.23000
• Density: 0.930
• LogP: 4.76740
• Storage Temp.: 2-8°C
• Water Solubility.: 3mg/L at 21℃
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 234.198365449
• Heavy Atom Count: 17
• Complexity: 242

Purity/Quality:

99.9% ^*data from raw suppliers

2,4-Di-tert-amylphenol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36-36/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)CC
• Uses: UV Stabilizer Intermediate, Photographic Developers, Specialty Surfactants, Fuel Additive Intermediate 2,4-Di-tert-amylphenol is a phenolic compound, used for the laccase induced coupling reactions. It may be used in the synthesis of Cu-phthalocyanine-C60.

Technology Process of 2,4-Di-tert-pentylphenol

There total 14 articles about 2,4-Di-tert-pentylphenol 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: 80.0%

N-{δ-[2,4-di(tert-amyl)phenoxy]butyl}phthalimide (313984-55-3) → 2,4-di-tert-amylphenol (120-95-6) + δ-[2,4-di(tert-amyl)phenoxy]butylamine (51959-14-9)

Guidance literature:

With hydrazine hydrate; In isopropyl alcohol; at 70 ℃; for 0.166667h;

Reference yield: 50.8%

2-methyl-but-2-ene (513-35-9) + isobutene (115-11-7,15220-85-6) + phenol (108-95-2,27073-41-2) → para-tert-butylphenol (98-54-4) + 2-tert-Butylphenol (88-18-6) + 4-t-amylphenol (80-46-6) + 2,4-di-tert-Butylphenol (96-76-4) + 2,4,6-tri-tert-butylphenoxol (732-26-3) + 2,4-di-tert-amylphenol (120-95-6) + 2-t-butyl-4-(1,1-dimethylpropyl)-phenol (122269-03-8) + 4-tert-butyl-2-(1,1-dimethyl-propyl)-phenol (122269-05-0)

Guidance literature:

isobutene; phenol; Fulcat 22B catalyst; at 130 - 140 ℃; for 1.5h; Inert atmosphere;

2-methyl-but-2-ene; at 130 ℃; for 3.25h;

Reference yield:

ethanol (64-17-5) + 2-methoxy-phenol (90-05-1) → 3,5-Di-tert-butylcatechol (1020-31-1,122983-47-5,881376-69-8) + 2,6-di-tert-butylphenol (128-39-2) + 2,4-diisopropylphenol (2934-05-6) + 2,6-diisopropylphenol (2078-54-8) + 2,4,6-triisopropylphenol (2934-07-8) + 2,6-di-tert-butyl-4-ethylphenol (4130-42-1) + 2,6-di-tert-butyl-4-hydroxyphenol (2444-28-2) + 2,6-di-tert-butyl-4-methoxymethylene-phenol (87-97-8) + 3,5-Di-tert-butylphenol (1138-52-9) + 2,4-dimethyl-6-tert-butylphenol (1879-09-0) + 2-(2',5'-dimethoxyphenyl)propionaldehyde (52417-48-8) + 2,6-di-tert-butyl-4-sec-butylphenol (17540-75-9) + 1,2-diethoxybenzene (2050-46-6) + 1,4-dimethoxy-2-tert-butylbenzene (21112-37-8) + 1-ethoxy-4-methoxybenzene (5076-72-2) + 2,5-di(tert-amyl)-1,4-hydroquinone (79-74-3) + 2,4-di-tert-amylphenol (120-95-6) + 2,5-diethyl phenol (876-20-0) + 4-ethoxy-3-methoxytoluene (33963-27-8) + 1,2-dimethoxy-4-butylbenzene (59056-76-7) + 1,2-diethoxy-4-ethyl-benzene (131358-04-8) + 3,5-di-t-butyl-4-hydroxybenzaldehyde (1620-98-0)

Guidance literature:

With ortho-tungstic acid; at 300 ℃; for 6h; Autoclave;

DOI:10.1039/c8ra07962e

upstream raw materials:

2-methyl-but-2-ene

4-t-amylphenol

phenol

2-methyl-2-butylchloride

Downstream raw materials:

4-(2,4-di-tert-pentyl-phenoxy)-butyric acid

2-(2,4-di-tert-pentylphenoxy)butyric acid

2-[bis[3,5-bis(1,1-dimethylpropyl)-2-hydroxyphenyl]methyl]-4,6-bis(1,1-dimethylpropyl)phenol

N-{δ-[2,4-di(tert-amyl)phenoxy]butyl}phthalimide

Refernces

• 1、 -. "Method for preparing hydrocarbyl phenol by catalytic conversion of phenolic compound in presence of molybdenum-based catalyst". Paragraph 0042-0043; 0070. . Retrieved 2018/04/02.
• 2、 -. "SOLID ALKYLARYL PHOSPHITE COMPOSITIONS AND METHODS FOR MANUFACTURING SAME". Page/Page column 36. . Retrieved 2011/02/24.