Benzoic acid, 2-formyl-, 3,7-dimethyl-6-octenyl ester

Base Information

• Chemical Name: Benzoic acid, 2-formyl-, 3,7-dimethyl-6-octenyl ester
• CAS No.: 298712-21-7
• Molecular Formula: C18H24O3
• Molecular Weight: 288.387
• DSSTox Substance ID: DTXSID30442555
• Nikkaji Number: J1.508.343C
• Mol file: 298712-21-7.mol

Synonyms:Benzoic acid, 2-formyl-, 3,7-dimethyl-6-octenyl ester;298712-21-7;SCHEMBL2640118;DTXSID30442555;CNHCNBVDYPICKB-UHFFFAOYSA-N;3,7 dimethyl-6-octenyl 2-formylbenzoate;2-Formylbenzoic acid 3,7-dimethyl-6-octenyl ester

Chemical Property of Benzoic acid, 2-formyl-, 3,7-dimethyl-6-octenyl ester

Chemical Property:

• Boiling Point: 412.1±38.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.025±0.06 g/cm3(Predicted)
• LogP: 4.42850
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 288.17254462
• Heavy Atom Count: 21
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC=C(C)C)CCOC(=O)C1=CC=CC=C1C=O

Technology Process of Benzoic acid, 2-formyl-, 3,7-dimethyl-6-octenyl ester

There total 1 articles about Benzoic acid, 2-formyl-, 3,7-dimethyl-6-octenyl ester 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: 17.0%

Citronellol (106-22-9) + o-carboxybenzaldehyde (119-67-5) → (+/-)-3,7-dimethyloct-6-enyl 2-formylbenzoate (298712-21-7) + (+/-)-3-(3,7-dimethyloct-6-enyloxy)isobenzofuran-1(3H)-one

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; for 48.25h;

DOI:10.1002/hlca.200390236

Reference yield:

(+/-)-3,7-dimethyloct-6-enyl 2-formylbenzoate (298712-21-7) → Citronellol (106-22-9)

Guidance literature:

With phosphate buffer; borate buffer; In water; acetonitrile; at 20 ℃; pH=7.62; Further Variations:; pH-values; Reagents; Kinetics;

DOI:10.1002/hlca.200390236

Reference yield:

(+/-)-3,7-dimethyloct-6-enyl 2-formylbenzoate (298712-21-7) → Citronellol (106-22-9) + o-carboxybenzaldehyde (119-67-5)

Guidance literature:

In water; acetonitrile; at 20 ℃; pH=10.47; Kinetics;

DOI:10.1039/b008082i

upstream raw materials:

Citronellol

o-carboxybenzaldehyde

Downstream raw materials:

Citronellol

o-carboxybenzaldehyde