4-Methoxybenzyl formate

Base Information

• Chemical Name: 4-Methoxybenzyl formate
• CAS No.: 122-91-8
• Molecular Formula: C9H10 O3
• Molecular Weight: 166.177
• Hs Code.: 2915120000
• European Community (EC) Number: 204-582-9
• NSC Number: 5949
• UNII: 7N0ADO5BXI
• DSSTox Substance ID: DTXSID7047649
• Nikkaji Number: J31.559A
• Wikidata: Q27268587
• Metabolomics Workbench ID: 46794
• ChEMBL ID: CHEMBL3188181
• Mol file: 122-91-8.mol

Synonyms:anisyl formate

Chemical Property of 4-Methoxybenzyl formate

Chemical Property:

• Vapor Pressure: 6.159Pa at 25℃
• Refractive Index: n20/D 1.523(lit.)
• Boiling Point: 254.8°Cat760mmHg
• Flash Point: 100.6°C
• PSA: 35.53000
• Density: 1.108g/cm³
• LogP: 2.00410
• Water Solubility.: 2.679g/L at 25℃
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 128

Purity/Quality:

99.9% ^*data from raw suppliers

Anisyl formate ≥90%, FCC, FG ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: COC1=CC=C(C=C1)COC=O
• Uses: Perfumery, flavoring. Anisyl formate is a synthetic flavoring agent that is a fairly stable, colorless to light yellow liquid of floral odor. It should be stored in glass, tin, or resin-lined containers. It is used in berry flavors for applications in beverages, candy, and baked goods at 3–10 ppm.

Technology Process of 4-Methoxybenzyl formate

There total 11 articles about 4-Methoxybenzyl formate 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: 100.0%

formic acid (64-18-6) + 4-Methoxybenzyl alcohol (105-13-5) → 4-methoxy-, benzenemethanol, formate (122-91-8)

Guidance literature:

formic acid; With silica gel; at 20 ℃; for 0.0166667h;

4-Methoxybenzyl alcohol; With silica gel; at 110 ℃; for 0.0166667h;

Reference yield: 98.0%

4-Methoxybenzyl alcohol (105-13-5) + formic acid ethyl ester (109-94-4) → 4-methoxy-, benzenemethanol, formate (122-91-8)

Guidance literature:

With K5; for 0.333333h; Heating;

DOI:10.1016/S0040-4020(01)00806-7

Reference yield: 95.0%

2-(4-methoxy-benzyloxy)-tetrahydro-pyran (18494-82-1) + formic acid ethyl ester (109-94-4) → 4-methoxy-, benzenemethanol, formate (122-91-8)

Guidance literature:

bismuth(lll) trifluoromethanesulfonate; for 0.666667h; Heating;

DOI:10.1081/SCC-120006016

upstream raw materials:

formamide

4-Methoxybenzyl alcohol

formic acid

4-formyloxy-1-[1'-(4-methoxybenzyloxy)propan-3'-yl]azetidin-2-one

Downstream raw materials:

6-phenyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one

methanol

4,4'-dimethoxydibenzyl ether

4-Methoxybenzyl alcohol