3-(4-Isopropylphenyl)-2-methylpropanal

Base Information

• Chemical Name: 3-(4-Isopropylphenyl)-2-methylpropanal
• CAS No.: 103-95-7
• Deprecated CAS: 80949-77-5
• Molecular Formula: C13H18O
• Molecular Weight: 190.285
• Hs Code.: 29122990
• European Community (EC) Number: 203-161-7
• UNII: 4U37UX0E1E
• DSSTox Substance ID: DTXSID2044769
• Nikkaji Number: J4.429F
• Wikipedia: Cyclamen_aldehyde
• Wikidata: Q19903910
• RXCUI: 1376343
• Metabolomics Workbench ID: 47922
• ChEMBL ID: CHEMBL3183483
• Mol file: 103-95-7.mol

Synonyms:cyclamen aldehyde

Chemical Property of 3-(4-Isopropylphenyl)-2-methylpropanal

Chemical Property:

• Vapor Pressure: 0.00881mmHg at 25°C
• Refractive Index: n20/D 1.505(lit.)
• Boiling Point: 266.102 °C at 760 mmHg
• Flash Point: 116.675 °C
• PSA: 17.07000
• Density: 0.937 g/cm³
• LogP: 3.18750
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate, Methanol (Slightly)
• Water Solubility.: 66mg/L at 20℃
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

99.9% ^*data from raw suppliers

2-Methyl-3-(p-isopropylphenyl)propionaldehyde(Cyclamal) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)CC(C)C=O
• Description: 2-Methyl-3-(p-isopropylphenyl) propionaldehyde has a strong, flowery odor. May be prepared by condensation of cuminic aldehyde and propionaldehyde followed by hydrogenation in the presence of a catalyst.
• Uses: Cyclamen Aldehyde is a very powerful, floral, green note used in many perfumery applications to blend into fresh, floral, green or ozonic/marine accords. It is an ingredient with growing use and importance in helping to build replacement accords for materials disappearing from the Perfumers’ palette. Cyclamen has good overall stability except in extremes of pH. It has good tenacity and substantivity and represents very good value for money in new creations. Cyclamal, is an ingredient in perfume. It can also be used in the synthesis of Cyclamen Alcohol (C987655).

Technology Process of 3-(4-Isopropylphenyl)-2-methylpropanal

There total 37 articles about 3-(4-Isopropylphenyl)-2-methylpropanal 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: 83.0%

(E)-3-(4-isopropylphenyl)-2-methylacrylaldehyde (93614-83-6) → cyclamenaldehyde (103-95-7,80949-77-5)

Guidance literature:

With La(pta)3; hydrogen; palladium on activated charcoal; In benzene; under 750.06 Torr; Ambient temperature;

DOI:10.1016/S0040-4020(01)81344-2

Reference yield: 81.0%

2-methyl-3-[4-(methylethyl)phenyl]propanol (4756-19-8,77897-28-0) → cyclamenaldehyde (103-95-7,80949-77-5)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 - 20 ℃; for 1h;

DOI:10.1021/acs.joc.8b01558

Reference yield: 40.0%

C17H24O4 (1252059-77-0) → cyclamenaldehyde (103-95-7,80949-77-5)

Guidance literature:

With water; titanium(IV) fluoride; at 80 ℃; for 69h; screw-capped vial;

DOI:10.1055/s-0029-1218849

upstream raw materials:

α-methyl-p-isopropylcinnamaldehyde

2,3-epoxy-4-(4-isopropyl-phenyl)-3-methyl-butyric acid ethyl ester

2-methylpropenal

Isopropylbenzene

Downstream raw materials:

1-isobutyl-4-isopropyl-cyclohexane

2-methyl-3-(4-isopropylphenyl)propanal diethyl acetal

Refernces

• 1、 Kogami et al.. "". . p. 604,605. Retrieved 1972.
• 2、 Manojveer, Seetharaman,Salahi, Saleh,Wendt, Ola F.,Johnson, Magnus T.. "Ru-Catalyzed Cross-Dehydrogenative Coupling between Primary Alcohols to Guerbet Alcohol Derivatives: With Relevance for Fragrance Synthesis". . p. 10864 - 10870. Retrieved 2018/09/06.
• 3、 Vrbková, Eva,Vysko?ilová, Eli?ka,Rott, Martin,Zapletal, Martin,?erveny, Libor. "A synthetic route to 4-alkyl-α-methylhydrocinnamylaldehydes". . p. 2603 - 2613. Retrieved 2017/03/22.