3-(Dimethoxymethyl)heptane

Base Information

• Chemical Name: 3-(Dimethoxymethyl)heptane
• CAS No.: 14250-95-4
• Molecular Formula: C10H22 O2
• Molecular Weight: 174.283
• Hs Code.: 2909199090
• European Community (EC) Number: 238-126-5
• DSSTox Substance ID: DTXSID70864479
• Nikkaji Number: J216.925H
• Mol file: 14250-95-4.mol

Synonyms:3-(Dimethoxymethyl)heptane;14250-95-4;2-ETHYLHEXANAL DIMETHYL ACETAL;EINECS 238-126-5;2-ethyl-1,1-dimethoxyhexane;Heptane, 3-(dimethoxymethyl)-;SCHEMBL7902477;DTXSID70864479;MFCD02683068;AKOS025396868

Chemical Property of 3-(Dimethoxymethyl)heptane

Chemical Property:

• Vapor Pressure: 1.22mmHg at 25°C
• Refractive Index: 1.4180
• Boiling Point: 180.4°Cat760mmHg
• Flash Point: 37.8°C
• PSA: 18.46000
• Density: 0.841g/cm³
• LogP: 2.82170
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 174.161979940
• Heavy Atom Count: 12
• Complexity: 89.8

Purity/Quality:

99% ^*data from raw suppliers

2-ETHYLHEXANAL DIMETHYL ACETAL 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)C(OC)OC

Technology Process of 3-(Dimethoxymethyl)heptane

There total 3 articles about 3-(Dimethoxymethyl)heptane 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: 89.0%

d,l-2-ethylhexanal (123-05-7) + trimethyl orthoformate (149-73-5) → 2-ethylhexanal dimethyl acetal (14250-95-4)

Guidance literature:

With lithium tetrafluoroborate; In methanol; for 2h; Heating;

DOI:10.1055/s-2004-820038

Reference yield:

methanol (67-56-1) + d,l-2-ethylhexanal (123-05-7) → 2-ethylhexanal dimethyl acetal (14250-95-4)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/jo01151a002

Reference yield:

→ 2-ethylhexanal dimethyl acetal (14250-95-4)

Guidance literature:

RCHO, ROH;

upstream raw materials:

methanol

d,l-2-ethylhexanal

trimethyl orthoformate

Downstream raw materials:

2-butyl-2-butenal

2-ethylhexenal

methyl 2-ethylhexanoate

2-bromo-1,1-dimethoxy-2-ethylhexane

Refernces

• 1、 Hamada, Nao,Kazahaya, Kiyoshi,Shimizu, Hisashi,Sato, Tsuneo. "An efficient and versatile procedure for the synthesis of acetals from aldehydes and ketones catalyzed by lithium tetrafluoroborate". . p. 1074 - 1076. Retrieved 2015/10/07.