1-Naphthylmethyl acetate

Base Information

• Chemical Name: 1-Naphthylmethyl acetate
• CAS No.: 13098-88-9
• Molecular Formula: C13H12 O2
• Molecular Weight: 200.237
• Hs Code.: 2915390090
• NSC Number: 67875
• UNII: Z499812837
• DSSTox Substance ID: DTXSID10156825
• Nikkaji Number: J348.114J
• Wikidata: Q27294978
• Mol file: 13098-88-9.mol

Synonyms:1-naphthylmethyl acetate;1-Naphthalenemethanol, acetate;13098-88-9;naphthalen-1-ylmethyl acetate;Acetic acid (1-naphtyl)methyl ester;NSC-67875;Z499812837;NSC 67875;UNII-Z499812837;1-naphthylmethylacetate;AI3-05978;SCHEMBL487420;1-Naphthalene-methanol, acetate;DTXSID10156825;NSC67875;1-(ACETOXYMETHYL)NAPHTHALENE;Q27294978

Chemical Property of 1-Naphthylmethyl acetate

Chemical Property:

• Vapor Pressure: 0.00046mmHg at 25°C
• Boiling Point: 314.6°C at 760 mmHg
• Flash Point: 143.5°C
• PSA: 26.30000
• Density: 1.135g/cm³
• LogP: 2.90290
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.083729621
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCC1=CC=CC2=CC=CC=C21

Technology Process of 1-Naphthylmethyl acetate

There total 6 articles about 1-Naphthylmethyl acetate 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: 95.0%

acetic acid (64-19-7,77671-22-8) + 1-Methylnaphthalene (90-12-0,34475-76-8) → naphthalen-1-ylmethyl acetate (13098-88-9) + 1-naphthaldehyde (66-77-3)

Guidance literature:

With ammonium cerium(IV) nitrate; In water; at 85 ℃; for 2h;

DOI:10.1016/S0040-4020(01)91375-4

Reference yield: 39.0%

Mangantriacetat + 1-Methylnaphthalene (90-12-0,34475-76-8) → naphthalen-1-ylmethyl acetate (13098-88-9) + 1-naphthaldehyde (66-77-3)

Guidance literature:

With *5H2O; lithium chloride; In acetic acid; at 100 ℃; for 27h;

DOI:10.1246/bcsj.62.3567

Reference yield: 35.0%

1-Methylnaphthalene (90-12-0,34475-76-8) → naphthalen-1-ylmethyl acetate (13098-88-9) + 1-naphthaldehyde (66-77-3)

Guidance literature:

With ammonium cerium(IV) nitrate; In water; acetic acid; at 85 ℃; for 2h;

DOI:10.1016/S0040-4020(01)91375-4

upstream raw materials:

acetic acid

1-Methylnaphthalene

(1,2,3,4-tetrahydronaphthalen-1-yl)methyl acetate

Downstream raw materials:

stearic acid-[1]naphthylmethyl ester

1-naphthalene methanol

1-ethylnapthelene

1-(methoxymethyl)naphthalene