1,5-Pentanediol dibenzoate

Base Information

• Chemical Name: 1,5-Pentanediol dibenzoate
• CAS No.: 6624-73-3
• Molecular Formula: C19H20 O4
• Molecular Weight: 312.36
• Hs Code.: 2916399090
• NSC Number: 53826
• DSSTox Substance ID: DTXSID5047538
• Nikkaji Number: J615.692D
• Wikidata: Q81984439
• ChEMBL ID: CHEMBL3185856
• Mol file: 6624-73-3.mol

Synonyms:1,5-Pentanediol dibenzoate;Pentane-1,5-diyl dibenzoate;DTXSID5047538;6624-73-3;SCHEMBL2069111;CHEMBL3185856;DTXCID3027538;5-(Benzoyloxy)pentyl benzoate #;UMNVFYKZOXQOLL-UHFFFAOYSA-N;NSC53826;Tox21_300524;NSC-53826;NCGC00248084-01;NCGC00254279-01;CAS-6624-73-3

Chemical Property of 1,5-Pentanediol dibenzoate

Chemical Property:

• Vapor Pressure: 4.34E-08mmHg at 25°C
• Boiling Point: 444.3°C at 760 mmHg
• Flash Point: 220.8°C
• PSA: 52.60000
• Density: 1.133g/cm³
• LogP: 3.87070
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 312.13615911
• Heavy Atom Count: 23
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCCCCCOC(=O)C2=CC=CC=C2

Technology Process of 1,5-Pentanediol dibenzoate

There total 7 articles about 1,5-Pentanediol dibenzoate 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: 46.0%

1 ,5-pentanediol (111-29-5) + benzoyl chloride (98-88-4) → 1-benzoyloxypentan-5-ol (55162-82-8) + 1,5-pentanediol dibenzoate (6624-73-3)

Guidance literature:

With dimethyltin dichloride; potassium carbonate; In tetrahydrofuran; for 12h; Ambient temperature;

DOI:10.1016/S0040-4039(98)01131-9

Reference yield: 40.0%

1 ,5-pentanediol (111-29-5) + Pentafluorobenzoic acid (602-94-8) → 1,5-pentanediol dibenzoate (6624-73-3)

Guidance literature:

With 4-(dimethylamino)pyridinium tosylate; diisopropyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; for 20h;

DOI:10.1246/cl.2012.1465

Reference yield:

1,5-dibromo-pentane (111-24-0) + benzoic acid (65-85-0,8013-63-6) → 1,5-pentanediol dibenzoate (6624-73-3)

Guidance literature:

benzoic acid; With potassium carbonate; In water; Green chemistry;

1,5-dibromo-pentane; With tetrabutylammomium bromide; at 120 ℃; for 3h; Sealed tube; Green chemistry;

DOI:10.1039/d1ra04814g

upstream raw materials:

ε-chloropentyl benzoate

1 ,5-pentanediol

benzoyl chloride

Pentafluorobenzoic acid