3,7-Dimethyloct-7-enal

Base Information

• Chemical Name: 3,7-Dimethyloct-7-enal
• CAS No.: 141-26-4
• Deprecated CAS: 5749-59-7
• Molecular Formula: C10H18 O
• Molecular Weight: 154.252
• Hs Code.: 2912190090
• European Community (EC) Number: 205-474-4
• UNII: A02IC9965Z
• DSSTox Substance ID: DTXSID60873313
• Nikkaji Number: J184.435K
• Wikidata: Q27273446
• RXCUI: 2472775
• Mol file: 141-26-4.mol

Synonyms:3,7-Dimethyloct-7-enal;alpha-Citronellal;7-Octenal, 3,7-dimethyl-;141-26-4;3,7-Dimethyl-7-octenal;UNII-A02IC9965Z;A02IC9965Z;EINECS 205-474-4;.ALPHA.-CITRONELLAL;SCHEMBL2769174;DTXSID60873313;.ALPHA.-CITRONELLAL [MI];Q27273446

Chemical Property of 3,7-Dimethyloct-7-enal

Chemical Property:

• Vapor Pressure: 0.16mmHg at 25°C
• Refractive Index: 1.429
• Boiling Point: 214°Cat760mmHg
• Flash Point: 79.1°C
• PSA: 17.07000
• Density: 0.828g/cm³
• LogP: 2.95790
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(=C)C)CC=O
• Uses: In soap perfumes; insect repellent.

Technology Process of 3,7-Dimethyloct-7-enal

There total 8 articles about 3,7-Dimethyloct-7-enal 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: 72.0%

3,7-dimethyl-oct-7-en-1-ol (5713-07-5,6812-78-8,141-25-3) → 3,7-dimethyl-7-octenal (141-26-4)

Guidance literature:

With nitroacetic acid ethyl ester; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; room temperature for 2 h, refluxed for 2 h;

DOI:10.1016/S0040-4039(01)92914-4

Reference yield:

→ 3,7-dimethyl-oct-6-enal (106-23-0,26489-02-1) + 3,7-dimethyl-7-octenal (141-26-4)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; Yield given. Yields of byproduct given; Heating;

DOI:10.1016/S0040-4039(00)99651-5

Reference yield:

nitrate d'isopulegyle (124323-94-0,135681-73-1) → 3,7-dimethyl-oct-6-enal (106-23-0,26489-02-1) + 3,7-dimethyl-7-octenal (141-26-4)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; ethyl acrylate; In benzene; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

upstream raw materials:

(R)-7-hydroxy-3,7-dimethyl-octanal

3,5-dimethylbenzenesulfinic acid

3,7-dimethyl-oct-7-en-1-ol

nitrate d'isopulegyle

Downstream raw materials:

(S)-6-methyl-octan-2-one