1(2H)-Naphthalenone, octahydro-

Base Information

• Chemical Name: 1(2H)-Naphthalenone, octahydro-
• CAS No.: 4832-16-0
• Molecular Formula: C10H16O
• Molecular Weight: 152.236
• European Community (EC) Number: 225-410-9
• NSC Number: 67905
• DSSTox Substance ID: DTXSID90871322
• Nikkaji Number: J8.779C
• Mol file: 4832-16-0.mol

Synonyms:4832-16-0;1-Decalone;1(2H)-Naphthalenone, octahydro-;decahydronaphthalen-1-one;1-Decalone (cis-trans);3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one;trans-1-Decalone;octahydronaphthalen-1(2H)-one;Bicyclo(4.4.0)decan-1-one;Octahydro-1(2H)-naphthalenone;cis-Octahydronaphthalene-2(1H)-one;EINECS 225-410-9;AI3-06188;Bicyclo[4.4.0]decan-1-one;Octahydro-1(2H)-naphthalenone #;trans-Decalone;decalin-1-one;NSC67905;1(2H)-Naphthalenone, octahydro-, trans-;SCHEMBL11955;Bicyclo[4.4.0]-2-decanone;DTXSID90871322;NSC 67905;NSC-67905;1-Decalone, mixture of cis and trans;AKOS023656840;FT-0638114;EN300-219915

Chemical Property of 1(2H)-Naphthalenone, octahydro-

Chemical Property:

• Vapor Pressure: 0.03mmHg at 25°C
• Refractive Index: n20/D 1.492(lit.)
• Boiling Point: 244.5°Cat760mmHg
• Flash Point: 90.3°C
• PSA: 17.07000
• Density: 0.982g/cm³
• LogP: 2.54580
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 152.120115130
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

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

Safty Information:

• Statements: 52/53
• Safety Statements: 61

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC2C(C1)CCCC2=O
• General Description: 1-Decalones are bicyclic ketones with the molecular formula C10H16O, existing as cis- and trans-isomers. These compounds are structurally characterized by a fused cyclohexane-cyclohexanone ring system, often referred to as decahydronaphthalen-1-one or bicyclo[4.4.0]decan-2-one. They are used as intermediates in organic synthesis and fragrances due to their stable, saturated ring framework and ketone functionality. The cis and trans isomers exhibit distinct physical and chemical properties, influencing their reactivity and applications in stereoselective reactions.

Technology Process of 1(2H)-Naphthalenone, octahydro-

There total 33 articles about 1(2H)-Naphthalenone, octahydro- 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: 92.0%

1-decalinol (529-32-8,207127-50-2,691892-12-3) → 1-decalone (4832-16-0)

Guidance literature:

With chromium(VI) oxide; H-ZSM 5 zeolite; In dichloromethane; for 1h; Ambient temperature;

Reference yield: 89.0%

cyclodeca-1,6-diyne (83013-95-0) → 1-decalone (4832-16-0)

Guidance literature:

With hydrogenchloride; In methanol; water;

DOI:10.1016/0040-4039(96)00093-7

Reference yield: 87.0%

decalin (91-17-8) → 1-decalone (4832-16-0)

Guidance literature:

With potassium permanganate; Montmorillonite K₁₀; at 23 ℃; for 20h;

DOI:10.1016/S0040-4039(02)00976-0

upstream raw materials:

1-decalinol

cis-1-decalone

cis-decalin

γ-<2-Oxo-cyclohexyl>-buttersaeure-methylester

Downstream raw materials:

trans-1-decalone

C₂₃H₂₇ClN₂

2-(p-Toluenesulfinyl)-1-decalone

6-cyclopentylvalerolactone