Benzyl butyl phthalate

Base Information

• Chemical Name: Benzyl butyl phthalate
• CAS No.: 85-68-7
• Deprecated CAS: 58128-78-2
• Molecular Formula: C19H20O4
• Molecular Weight: 312.365
• Hs Code.: 29173400
• European Community (EC) Number: 201-622-7
• ICSC Number: 0834
• NSC Number: 71001
• UN Number: 3082
• UNII: YPC4PJX59M
• DSSTox Substance ID: DTXSID3020205
• Nikkaji Number: J45.539C
• Wikipedia: Benzyl_butyl_phthalate
• Wikidata: Q414809
• Metabolomics Workbench ID: 67427
• ChEMBL ID: CHEMBL1450327
• Mol file: 85-68-7.mol

Synonyms:BBPHT;benzyl butyl phthalate;butyl benzyl phthalate;butylbenzyl phthalate

Chemical Property of Benzyl butyl phthalate

Chemical Property:

• Appearance/Colour: colourless oily liquid
• Vapor Pressure: 0.16 mm Hg ( 150 °C)
• Melting Point: <-35 ºC
• Refractive Index: n20/D 1.54(lit.)
• Boiling Point: 408.3 ºC at 760 mmHg
• Flash Point: 198.3 ºC
• PSA: 52.60000
• Density: 1.134 g/cm³
• LogP: 4.00050
• Storage Temp.: Refrigerator
• Water Solubility.: 0.000269 g/100 mL
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 312.13615911
• Heavy Atom Count: 23
• Complexity: 374
• Transport DOT Label: Class 9

Purity/Quality:

99.9% ^*data from raw suppliers

Benzyl Butyl Phthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 61-50/53-62
• Safety Statements: 53-45-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Phthalate Esters
• Canonical SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying.
• Effects of Long Term Exposure: Animal tests show that this substance possibly causes toxicity to human reproduction or development.
• Uses: A phthalate metabolite with genotoxic effect. Benzyl n-butyl phthalate is used as a plasticizer for vinyl foams. It is also used in floor tiles, in traffic cones, food conveyor belts and artificial leather. Further, it acts as an organic intermediate. In addition to this, it is used as a perfume fixative.

Technology Process of Benzyl butyl phthalate

There total 7 articles about Benzyl butyl phthalate 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: 88.0%

phthalic acid monobutyl ester (131-70-4) + benzyl bromide (100-39-0) → benzyl n-butyl phthalate (85-68-7)

Guidance literature:

With potassium carbonate; In acetone; for 3h; Heating;

Reference yield:

pyrene (129-00-0) → phthalic anhydride (85-44-9) + xanth-9-one (90-47-1) + pentadecane (629-62-9) + n-docosane (629-97-0) + n-hexacosane (630-01-3) + tetradecane (629-59-4) + Hexadecane (544-76-3) + Diethylene glycol monobutyl ether (112-34-5,9004-77-7) + n-butyl isobutyrate (97-87-0) + heneicosane (629-94-7) + n-tricosane (638-67-5) + tetracosane (646-31-1) + n-pentacosane (629-99-2) + cyclopenta[def]phenanthrene (203-63-4) + 1,2-benzenedicarboxylic acid diisooctyl ether + 2,6-di-tert-butyl-4-methyl-phenol (128-37-0) + Diethyl phthalate (84-66-2) + Phthalic acid dibutyl ester (84-74-2) + 4H-Cyclopenta[def]phenanthrene (203-64-5) + benzyl n-butyl phthalate (85-68-7) + 1,1'-Biphenyl-2,2',6,6'-tetracarboxaldehyde (4371-26-0) + 4,5-phenanthrene-8,9-dicarbaldehyde (16162-34-8) + 1-hexadecylcarboxylic acid (57-10-3) + 6-propyltridecane (55045-10-8)

Guidance literature:

With oxygen; ozone; In water; for 0.25 - 2h;

Reference yield:

phthalic anhydride (85-44-9) → benzyl n-butyl phthalate (85-68-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 59.6 percent / H₂SO₄ / H₂O / 0.25 h / Heating

2: 88 percent / K₂CO₃ / acetone / 3 h / Heating

With sulfuric acid; potassium carbonate; In water; acetone;

upstream raw materials:

phthalic acid monobutyl ester

benzyl chloride

Phthalic acid dibutyl ester

benzyl alcohol

Downstream raw materials:

benzyl 2-ethylhexyl phthalate

phthalic acid benzyl ester-decyl ester

Bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate

phthalic acid monobutyl ester

Refernces

• 1、 Cheng, Kur-Ta,Rajasekhar, Dodda,Huang, Sheng-Tung,Hsu, Feng-Lin,Subbaraju, Gottumukkala V.. "Revised structure for spatozoate, a metabolite of Spatoglossum variabile". . p. 1190 - 1192. Retrieved 2007/10/03.