2-Ethylhexyl 4-aminobenzoate

Base Information

• Chemical Name: 2-Ethylhexyl 4-aminobenzoate
• CAS No.: 26218-04-2
• Molecular Formula: C15H23 N O2
• Molecular Weight: 249.353
• Hs Code.: 2922493800
• European Community (EC) Number: 420-170-3,607-885-8
• UNII: 7CHI67POY6
• DSSTox Substance ID: DTXSID801309631
• Nikkaji Number: J594.318C
• Mol file: 26218-04-2.mol

Synonyms:2-ethylhexyl 4-aminobenzoate;26218-04-2;2-ethylhexyl-4-aminobenzoate;2-ethylhexyl p-aminobenzoate;7CHI67POY6;p-Aminobenzoesure-2-ethylhexylester;Benzoic acid, 4-amino-, 2-ethylhexyl ester;P-AMINOBENZOIC ACID 2-ETHYLHEXYL ESTER;UNII-7CHI67POY6;EC 420-170-3;2-ethylhexyl4-aminobenzoate;SCHEMBL3372196;ZJQXUTDROPGVLH-UHFFFAOYSA-N;DTXSID801309631;BBA21804;MFCD13340006;AKOS010555785;DS-19078;CS-0152376;FT-0761109;NS00008034;D83567;EN300-268071;Z802565964

Chemical Property of 2-Ethylhexyl 4-aminobenzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.52
• Boiling Point: 384.962°C at 760 mmHg
• PKA: 2.37±0.10(Predicted)
• Flash Point: 222.018°C
• PSA: 52.32000
• Density: 1.016g/cm³
• LogP: 4.22320
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 249.172878976
• Heavy Atom Count: 18
• Complexity: 235

Purity/Quality:

99.9% ^*data from raw suppliers

2-Ethylhexyl-4-aminobenzoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)N

Technology Process of 2-Ethylhexyl 4-aminobenzoate

There total 5 articles about 2-Ethylhexyl 4-aminobenzoate 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: 99.2%

4-nitro-benzoic acid, 2-ethylhexyl ester (16397-70-9) → 2-ethylhexyl 4-aminobenzoate (26218-04-2)

Guidance literature:

With palladium on activated charcoal; hydrogen; In water; at 50 - 60 ℃; under 750.075 - 3000.3 Torr; Sealed tube;

Reference yield:

2-Ethylhexyl alcohol (104-76-7) + 4-nitro-benzoyl chloride (122-04-3) → 2-ethylhexyl 4-aminobenzoate (26218-04-2)

Guidance literature:

2-Ethylhexyl alcohol; 4-nitro-benzoyl chloride; With triethylamine; In toluene; at 0 ℃; for 1h; Cooling with ice;

With palladium 10% on activated carbon; In ethanol; water; at 20 - 50 ℃; for 1.66667h; Cooling with ice;

Reference yield:

4-nitro-benzoic acid (62-23-7) → 2-ethylhexyl 4-aminobenzoate (26218-04-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrogen sulfate / toluene / 135 - 145 °C

2: ammonium chloride; iron / methanol; water / Reflux

With sodium hydrogen sulfate; iron; ammonium chloride; In methanol; water; toluene;

upstream raw materials:

2-Ethylhexyl alcohol

4-nitro-benzoyl chloride

4-nitro-benzoic acid

4-nitro-benzoic acid, 2-ethylhexyl ester

Downstream raw materials:

ethylhexyl triazone

4-(4,6-bis(4-((2-ethylhexyloxy)carbonyl)-phenylamine)-1,3,5-triazin-2-ylamino)benzoic acid

Refernces

• 1、 -. "An ultraviolet absorbent octyl triazone synthetic method". . . Retrieved 2017/08/26.
• 2、 -. "Derivatives of benzoxazole useful as UV filters". . . Retrieved 2008/06/13.