Methyl 6-Acetoxyhexanoate

Base Information

Chemical Name:Methyl 6-Acetoxyhexanoate
CAS No.:104954-58-7
Molecular Formula:C₉H₁₆O₄
Molecular Weight:188.224
Hs Code.:2918990090
DSSTox Substance ID:DTXSID00433617
Nikkaji Number:J59.809G
Wikidata:Q82247806
Mol file:104954-58-7.mol

Synonyms:Methyl 6-Acetoxyhexanoate;104954-58-7;6-Acetoxy-n-caproic acid methyl ester;Methyl 6-acetyloxyhexanoate;6-Acetoxyhexanoic Acid Methyl Ester;Methyl6-Acetoxyhexanoate;methyl 6-(acetyloxy)hexanoate;SCHEMBL3502675;NIOSH/MO5910000;DTXSID00433617;6-Acetoxyhexanoic acid, methyl ester;MFCD00082930;AKOS037645209;Hexanoic acid, 6-acetoxy-, methyl ester;AS-58509;LS-75181;CS-0325362;FT-0642579;MO59100000;D88424;A896130

Suppliers and Price of Methyl 6-Acetoxyhexanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Methyl 6-Acetoxyhexanoate
500mg
$ 90.00

TRC
Methyl 6-Acetoxyhexanoate
50mg
$ 45.00

TCI Chemical
Methyl 6-Acetoxyhexanoate >98.0%(GC)
5g
$ 27.00

American Custom Chemicals Corporation
6-ACETOXY-N-CAPROIC ACID METHYL ESTER 95.00%
5MG
$ 500.15

AK Scientific
6-Acetoxy-N-caproicacidmethylester
5g
$ 287.00

Total 12 raw suppliers

Chemical Property of Methyl 6-Acetoxyhexanoate

Chemical Property:

Refractive Index:1.4280-1.4310
Boiling Point:232.781oC at 760 mmHg
Flash Point:105.557oC
PSA：52.60000
Density:1.03
LogP:1.28290
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:188.10485899
Heavy Atom Count:13
Complexity:165

Purity/Quality:

97% ^*data from raw suppliers

Methyl 6-Acetoxyhexanoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCCCCCC(=O)OC

Technology Process of Methyl 6-Acetoxyhexanoate

There total 3 articles about Methyl 6-Acetoxyhexanoate 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: 84.0%

: 135508-26-8
2-(4-Acetoxy-butyl)-malonic acid monomethyl ester

: 104954-58-7
methyl 6-O-acetylhexanoate

Guidance literature:: at 160 - 200 ℃; under 12 Torr;
DOI:10.1080/00397919108019796

Reference yield: 62.0%

: 4547-43-7
methyl 6-hydroxycaproate

: 3616-19-1,5328-50-7,5346-90-7,6291-42-5,6920-00-9,20764-63-0,20880-60-8,20880-65-3,22352-19-8,23973-20-8,32447-69-1,34213-32-6,52554-32-2,53956-64-2,56907-29-0,56994-12-8,56994-13-9,57128-38-8,67650-36-6,68036-17-9,68036-19-1,78215-50-6,78215-51-7,79549-48-7,80446-82-8,85249-04-3,93221-83-1,93779-27-2,111407-83-1,111407-84-2,111407-85-3,120328-65-6,123809-59-6,132341-46-9,132341-47-0,132341-49-2,145307-94-4
1',2',3',6',2,3,4,6-octa-O-acetyl-β-D-lactose

: 1013637-66-5
5-methoxycarbonylpentyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl-(1->4)-3,6-di-O-acetyl-α-D-glucopyranoside

: 104954-58-7
methyl 6-O-acetylhexanoate

: 246855-90-3
5-methoxycarbonylpentyl 2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl-(1->4)-2,3,6-tri-O-acetyl-β-D-glucopyranoside

Guidance literature:: With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃;
DOI:10.1016/j.carres.2007.10.015

Reference yield:

: 135508-22-4
2-(4-Acetoxy-butyl)-malonic acid dimethyl ester

: 104954-58-7
methyl 6-O-acetylhexanoate

Guidance literature:: Multi-step reaction with 2 steps

1: porcine liver acetone powder (PLAP), 2N aq. NaOH / H₂O / 2 h / 20 °C / pH 7.2

2: 84 percent / 160 - 200 °C / 12 Torr

With sodium hydroxide; porcine liver acetone powder; In water;
DOI:10.1080/00397919108019796