2-Hydroxypropyl phenylacetate

Base Information

• Chemical Name: 2-Hydroxypropyl phenylacetate
• CAS No.: 80550-09-0
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• European Community (EC) Number: 279-494-7
• NSC Number: 67269
• DSSTox Substance ID: DTXSID30868579
• Nikkaji Number: J320.286K
• Mol file: 80550-09-0.mol

Synonyms:2-Hydroxypropyl phenylacetate;80550-09-0;EINECS 279-494-7;Benzeneacetic acid, 2-hydroxypropyl ester;AI3-06529;DTXSID30868579;NSC67269;NSC 67269;NSC-67269;Benzeneacetic acid 2-hydroxypropyl ester

Chemical Property of 2-Hydroxypropyl phenylacetate

Chemical Property:

• Vapor Pressure: 8.56E-05mmHg at 25°C
• Boiling Point: 326.8°C at 760 mmHg
• Flash Point: 139°C
• PSA: 46.53000
• Density: 1.121g/cm³
• LogP: 1.15310
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(COC(=O)CC1=CC=CC=C1)O

Technology Process of 2-Hydroxypropyl phenylacetate

There total 3 articles about 2-Hydroxypropyl phenylacetate 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:

2-(benzyl)-4-methyl-1,3-dioxolane (5468-05-3) → 2-hydroxypropyl phenylacetate (80550-09-0) + 2-hydroxy-2-propyl phenylacetate (80550-08-9)

Guidance literature:

With sodium hypochlorite; In acetic acid; acetone; at 0 ℃; for 0.5h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

phenylacetaldehyde (122-78-1) → 2-hydroxypropyl phenylacetate (80550-09-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 86.2 percent / conc. H₂SO₄ / 0.25 h / Ambient temperature

2: 13 percent aq. sodium hypochlorite / acetic acid; acetone / 0.5 h / 0 °C

With sodium hypochlorite; sulfuric acid; In acetic acid; acetone;

Reference yield:

→ 2-hydroxypropyl phenylacetate (80550-09-0)

Guidance literature:

entspr. Saeure, entspr. Epoxid (Propylenoxid);

upstream raw materials:

2-(benzyl)-4-methyl-1,3-dioxolane

phenylacetaldehyde

Refernces