Eucarvone

Base Information

• Chemical Name: Eucarvone
• CAS No.: 503-93-5
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• Hs Code.: 2914299000
• European Community (EC) Number: 654-410-5
• NSC Number: 127544
• UNII: 6H2K49X6B0
• DSSTox Substance ID: DTXSID00198310
• Nikkaji Number: J11.789G
• Wikidata: Q27149863
• Mol file: 503-93-5.mol

Synonyms:Eucarvone;503-93-5;2,6,6-Trimethyl-2,4-cycloheptadien-1-one;2,6,6-Trimethylcyclohepta-2,4-dienone;2,6,6-trimethylcyclohepta-2,4-dien-1-one;2,4-Cycloheptadien-1-one, 2,6,6-trimethyl-;6H2K49X6B0;NSC-127544;NSC127544;2, 2,6,6-trimethyl-;UNII-6H2K49X6B0;SCHEMBL1655454;CHEBI:80820;DTXSID00198310;MFCD00182537;AKOS006230586;FS-2395;NSC 127544;CS-0134526;FT-0691468;T1846;2,6,6-trimethyl-cyclohepta-2,4-dien-1-one;2,6,6-Trimethyl-2,4-cycloheptadien-1-one #;C16955;D92536;(2Z,4Z)-2,6,6-trimethylcyclohepta-2,4-dienone;Q27149863

Chemical Property of Eucarvone

Chemical Property:

• Vapor Pressure: 0.08mmHg at 25°C
• Refractive Index: 1.5070-1.5100
• Boiling Point: 226.9°Cat760mmHg
• Flash Point: 90.3°C
• PSA: 17.07000
• Density: 0.917g/cm³
• LogP: 2.48790
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 231

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,6,6-Trimethyl-2,4-cycloheptadien-1-one >96.0%(GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC(CC1=O)(C)C

Technology Process of Eucarvone

There total 5 articles about Eucarvone 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:

D-limonene (5989-27-5,555-08-8,8022-90-0,9003-73-0,95327-98-3) → eucarvone (503-93-5) + thymol (89-83-8) + 3-terpinolenone (491-09-8) + (S)-isopiperitenone (16750-82-6)

Guidance literature:

With air; at 120 ℃; Thermolysis;

DOI:10.1021/es9810641

Reference yield:

3,7,7-trimethylbicyclo(4,1,0)hept-3-en-5-one (81800-50-2) + 4,7,7-trimethyl-bicyclo[4.1.0]-4-hepten-3-one (28226-49-5) + 3,7,7-trimethyl-bicyclo[4.1.0]-3-hepten-2-one (107493-44-7) → carvacrol (499-75-2) + eucarvone (503-93-5) + 3,6,6-trimethylcyclohepta-2,4-dien-1-one (2767-18-2) + 3-isopropyl-5-methylphenol (3228-03-3)

Guidance literature:

at 210 ℃; Temperature; Molecular sieve;

Reference yield:

oxalic acid (144-62-7,97993-78-7) + acetone (67-64-1) → carvacrol (499-75-2) + eucarvone (503-93-5)

Guidance literature:

upstream raw materials:

(-)-(1S,2S,5S)-2-hydroxy-pinan-3-one

oxalic acid

acetone

D-limonene

Downstream raw materials:

2,6,6-trimethyl-cyclohepta-2,4-dienone-(2,4-dinitro-phenylhydrazone)

(1S,5S)-1,4,4-Trimethyl-3-[1-phenyl-meth-(E)-ylidene]-bicyclo[3.2.0]heptan-2-one

1-Cyanomethyl-2-isopropyliden-1-methylcyclobutan

(+/-)-3-oximino-1,4,4-trimethylbicyclo<3.2.0>heptane

Refernces

• 1、 Mcgraw, Gerald W.,Hemingway, Richard W.,Ingram Jr., Leonard L.,Canady, Catherine S.,Mcgraw, William B.. "Thermal degradation of terpenes: Camphene, Δ3-carene, limonene, and α-terpinene". . p. 4029 - 4033. Retrieved 2007/10/03.