2-Phenylpropyl butyrate

Base Information

• Chemical Name: 2-Phenylpropyl butyrate
• CAS No.: 80866-83-7
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• European Community (EC) Number: 279-587-2
• UNII: 38G1J8241Q
• DSSTox Substance ID: DTXSID70868598
• Nikkaji Number: J149.941F,J391.440B
• Wikidata: Q27256783
• Metabolomics Workbench ID: 46567
• Mol file: 80866-83-7.mol

Synonyms:2-Phenylpropyl butyrate;80866-83-7;2-phenylpropyl butanoate;Hydratropyl butyrate;Butanoic acid, 2-phenylpropyl ester;FEMA No. 2891;Methylphenethyl butyrate, beta-;EINECS 279-587-2;UNII-38G1J8241Q;Butanoic acid,2-phenylpropyl ester;38G1J8241Q;2-Phenyl-1-propanol butyrate;SCHEMBL1172092;FEMA 2891;SKLXPNZDCBPHCS-UHFFFAOYSA-;DTXSID70868598;(2R)-2-Phenyl-1-propanol butyrate;AKOS028108700;2-PHENYLPROPYL BUTYRATE [FHFI];(+/-)-2-PHENYLPROPYL BUTYRATE;2-PHENYLPROPYL BUTYRATE, (+/-)-;LS-180487;FT-0641782;Q27256783

Chemical Property of 2-Phenylpropyl butyrate

Chemical Property:

• Vapor Pressure: 0.00469mmHg at 25°C
• Refractive Index: n20/D 1.4887(lit.)
• Boiling Point: 276.8 °C at 760 mmHg
• Flash Point: 104.6 °C
• PSA: 26.30000
• Density: 0.986 g/cm³
• LogP: 3.13340
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

2-PHENYL PROPYL BUTYRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OCC(C)C1=CC=CC=C1

Technology Process of 2-Phenylpropyl butyrate

There total 1 articles about 2-Phenylpropyl butyrate 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:

Butyric acid 2-bromo-1-methyl-1-phenyl-ethyl ester → α-methylphenethyl butyrate (68922-11-2) + 2-phenyl-1-propyl butyrate (80866-83-7) + Butyric acid 1-methyl-1-phenyl-ethyl ester

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; Title compound not separated from byproducts;

DOI:10.1021/ja963153o

Reference yield:

2-phenyl-1-propyl butyrate (80866-83-7) → (S)-2-phenyl-1-propanol (37778-99-7) + (+)-(R)-2-phenylpropanol (1123-85-9,37778-99-7,98103-87-8,19141-40-3) + Butyric acid (S)-2-phenyl-propyl ester (164454-55-1)

Guidance literature:

With butan-1-ol; In hexane; water; at 30 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts; porcine pancreatic lipase (PPL);

DOI:10.1021/jo00005a061

Reference yield:

2-phenyl-1-propyl butyrate (80866-83-7) → (S)-2-phenyl-1-propanol (37778-99-7) + (+)-(R)-2-phenylpropanol (1123-85-9,37778-99-7,98103-87-8,19141-40-3)

Guidance literature:

2-phenyl-1-propyl butyrate; With lithium aluminium tetrahydride; In diethyl ether;

With water; In diethyl ether;

DOI:10.1016/j.tetasy.2009.07.024

Downstream raw materials:

(S)-2-phenyl-1-propanol

(+)-(R)-2-phenylpropanol

acetic acid (R)-(+)-2-phenyl-1-propanol ester

Butyric acid (S)-2-phenyl-propyl ester