7-Methoxy-3,7-dimethyloctanal

Base Information

• Chemical Name: 7-Methoxy-3,7-dimethyloctanal
• CAS No.: 3613-30-7
• Deprecated CAS: 53023-57-7
• Molecular Formula: C11H22 O2
• Molecular Weight: 186.294
• Hs Code.: 29124990
• European Community (EC) Number: 222-784-5
• UNII: 261VCL42SZ
• DSSTox Substance ID: DTXSID7038818
• Nikkaji Number: J8.182E
• Wikidata: Q27254032
• Metabolomics Workbench ID: 130703
• ChEMBL ID: CHEMBL3189093
• Mol file: 3613-30-7.mol

Synonyms:7-Methoxy-3,7-dimethyloctanal;3613-30-7;Methoxycitronellal;Octanal, 7-methoxy-3,7-dimethyl-;7-Methoxycitronellal;Methoxydihydrocitronellal;Hydroxycitronellal methyl ether;3,7-Dimethyl-7-methoxy-1-octanal;BRN 1904467;EINECS 222-784-5;UNII-261VCL42SZ;AI3-36183;261VCL42SZ;DTXSID7038818;1-OCTANAL, 3,7-DIMETHYL-7-METHOXY-;SCHEMBL113867;CHEMBL3189093;DTXCID5018818;3,7-dimethyl-7-methoxy-octanal;7-methoxy-3,7-dimethyloctan-1-al;Tox21_301955;MFCD00007015;AKOS025243239;J8.182E;SB85357;7 - methoxy - 3,7 - dimethyloctanal;NCGC00255437-01;7-METHOXY-6,7-DIHYDROCITRONELLAL;AS-76743;LS-97809;CAS-3613-30-7;7-METHOXY-3,7-DIMETHYL-1-OCTANAL;FT-0634930;F81528;A853470;W-109914;Q27254032

Chemical Property of 7-Methoxy-3,7-dimethyloctanal

Chemical Property:

• Vapor Pressure: 0.0402mmHg at 25°C
• Refractive Index: 1.4364-1.4384
• Boiling Point: 239.4°Cat760mmHg
• Flash Point: 78.4°C
• PSA: 26.30000
• Density: 0.869g/cm³
• LogP: 2.80680
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

99.9% ^*data from raw suppliers

7-Methoxy-3,7-dimethyloctanal 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(C)(C)OC)CC=O

Technology Process of 7-Methoxy-3,7-dimethyloctanal

There total 15 articles about 7-Methoxy-3,7-dimethyloctanal 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: 90.0%

7-methoxy-3,7-dimethyloctan-1-ol (38376-28-2) → 7-methoxy-3,7-dimethyloctanal (3613-30-7)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1023/A:1014439914429

Reference yield: 85.0%

7-hydroxy-3,7-dimethyl-octanal (107-75-5) + methyl iodide (74-88-4) → 7-methoxy-3,7-dimethyloctanal (3613-30-7)

Guidance literature:

With sodium; In benzene; for 1h; Heating;

Reference yield:

7-methoxy-3,7-dimethyloct-2-enal (3608-21-7) → 7-methoxy-3,7-dimethyloctanal (3613-30-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 1h; Yield given;

upstream raw materials:

7-methoxy-3,7-dimethyl-octanenitrile

methanol

N-(3,7-dimethyl-1,6-octadienyl)-piperidine

N-(3,7-dimethyl-1,6-octadienyl)-morpholine

Downstream raw materials:

1-chloro-4-<(7-methoxy-3,7-dimethyloctylidene)amino>benzene

3-(7-methoxy-3,7-dimethyloctanoyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

7-methoxy-3,7-dimethyloctan-1-ol

11-Methoxy-3,7,11-trimethyl-5-oxo-2-(toluene-4-sulfonyloxy)-dodecanoic acid isopropyl ester

Refernces

• 1、 Quistad,Staiger,Schooley. "Environmental degradation of the insect growth regulator methoprene (isopropyl (2E,4E) 11 methoxy 3,7,11 trimethyl 2,4 dodecadienoate). I. Metabolism by alfalfa and rice". . p. 582 - 589. Retrieved 1974.
• 2、 Gebhard, R.,Dijk, J. T. M. van,Ouwerkerk, E. van,Boza, M. V. T. J.,Lugtenburg, J.. "Synthesis and spectroscopy of chemically modified spheroidenes". . p. 459 - 469. Retrieved 2007/10/02.
• 3、 Gupta, Anurag Ateet,Rastogi, Anita,Gupta, M. M.,Srivastava, Neera,Sengupta, A. K.,Athar, Mohd. "Studies on Potential Juvenile Hormone Analogs: Part II - Synthesis of Some New Ethers, Schiff Bases, Hydrazides and Hydrazones Derived from 7-Hydroxycitronellal". . p. 948 - 951. Retrieved 2007/10/02.