CAS No.502-49-8,Cyclooctanone Suppliers

Products Categories

Pharmaceutical (105)
Organic Chemicals (30)
Others (15)
Reagent (7)
Materials (4)
Adhesive and Sealant (3)
Plant Extract (1)

Basic Information

Molecular Structure:
CAS No.:	502-49-8
Name:	Cyclooctanone
Article Data:	386

Formula:	C₈H₁₄O
Molecular Weight:	126.199
Synonyms:	NSC 9475;cyclooctan-1-one;
EINECS:	207-940-2
Density:	0.912 g/cm³
Melting Point:	32-41 °C(lit.)
Boiling Point:	193.229 °C at 760 mmHg
Flash Point:	72.778 °C
Solubility:	Soluble in water at 20°C 15g/L. Soluble in acetone, alcohol, chloroform, methanol and benzene.
Appearance:	colorless to white crystalline low melting solid
Hazard Symbols:	C
Risk Codes:	34
Safety:	45-36/37/39-26
PSA:	17.07000
LogP:	2.29980

Synthetic route

: 696-71-9
cyclooctanol

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With dihydrogen peroxide; tetra(n-butyl)ammonium hydrogensulfate; sodium tungstate In tert-butyl alcohol at 90℃; for 0.5h;	100%
With ruthenium trichloride; iodobenzene; potassium peroxomonosulfate In water; acetonitrile at 20℃; for 0.5h;	100%
With ruthenium trichloride; iodobenzene; potassium peroxymonosulfate In water; acetonitrile at 20℃; for 0.5h; Inert atmosphere;	100%

: 292-64-8
Cyclooctan

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With hydrogenchloride; FeH6Mo6O24(3-)3H3N3H(1+)*7H2O; tetrabutylammomium bromide; dihydrogen peroxide In 1,4-dioxane; water at 85℃; for 24h;	98%
With oxygen; isobutyraldehyde; vanadium-substituted V-MCM-41 (A) zeolite In acetone at 25℃; for 24h;	83%
With potassium permanganate; borontrifluoride acetic acid In acetonitrile at 23℃; for 0.166667h;	55%

: 286-62-4
Cyclooctene oxide

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With lithium iodide In xylene at 140℃; for 6h;	98%
With lithium iodide In xylene at 140℃; for 6h; Product distribution; other temperatures, other times; various concentrations of catalyst; other catalyst; without a solvent;

: 5452-37-9
cyclooctylamine

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With zinc dichromate trihydrate at 20℃; grinding; neat (no solvent); chemoselective reaction;	98%
With 3-carboxypyridinium dichromate In acetonitrile at 20℃; for 0.25h;	97%
With potassium permanganate; copper(II) sulfate In dichloromethane for 24h; Heating;	90%

: 13213-32-6
cyclooctyl methyl ether

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
Stage #1: cyclooctyl methyl ether With bromine In dichloromethane; water for 1h; Reflux; Stage #2: With dihydrogen peroxide In dichloromethane; water for 4h; Reflux;	97%

: 931-88-4, 22770-27-0, 3958-30-3
1,2-cyclooctene

A: 502-49-8
cycloactanone

B: 696-71-9
cyclooctanol

Conditions

Conditions	Yield
With tetrachloromethane; copper(II) choride dihydrate; chromium(III) acetylacetonate; water at 150℃; for 12h; Sealed tube;	A 4% B 96%

: 4017-56-5
ethyl 2-oxocyclooctane-1-carboxylate

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With sodio-propane-1,2-diol in anhydrous propane-1,2-diol at 80 - 85℃; for 0.5h;	95%

: 40338-24-7
cyclooctanone semicarbazone

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With hydrogenchloride; Tonsil In ethyl acetate for 2h; Heating;	94.1%

: 201230-82-2
carbon monoxide

: 4925-71-7
cis-1,2-epoxycyclooctane

A: 502-49-8
cycloactanone

: trans-9-oxa-bicyclo[6.2.0]decan-10-one

Conditions

Conditions	Yield
With [(salph)Cr(THF)2][Co(CO)4] In 1,2-dimethoxyethane at 60℃; under 5171.48 Torr; for 24h;	A 3% B 94%

...Expand

: 25632-03-5
1,1-dimethoxycyclooctane

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With dimethylboron bromide In dichloromethane; 1,2-dichloro-ethane at -78℃; for 1h;	93%
With dimethylboron bromide; sodium hydrogencarbonate 1) CH2Cl2, -78 deg C, 1h, 2) THF, 5 min; Yield given. Multistep reaction;

Raw Materials

110-82-7

78-84-2

502-42-1

Downstream Products

185-88-6

927-63-9

Total:135 Page 1 of 4 1 2 3 4 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 502-49-8

Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Cyclooctanone, with the CAS registry number 502-49-8 and EINECS registry number 207-940-2, is also known as cyclooctan-1-one. It is a kind of colorless to white crystalline low melting solid, and belongs to the following product categories: C7 to C8; Carbonyl Compounds; Ketones. And the molecular formula of this chemical is C₈H₁₄O. What's more, it is usually used as intermediate in the organic and pharmaceutical synthesis, and it is also used to produce Blonanserin-a kind of anti-schizophrenic drugs.

The physical properties of Cyclooctanone are as following: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.875; (4)ACD/LogD (pH 7.4): 1.875; (5)ACD/BCF (pH 5.5): 15.659; (6)ACD/BCF (pH 7.4): 15.659; (7)ACD/KOC (pH 5.5): 249.367; (8)ACD/KOC (pH 7.4): 249.367; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 ?2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 37.024 cm3; (15)Molar Volume: 138.428 cm3; (16)Polarizability: 14.678 10-24cm3; (17)Surface Tension: 30.761 dyne/cm; (18)Density: 0.912 g/cm3; (19)Flash Point: 72.778 °C; (20)Enthalpy of Vaporization: 42.943 kJ/mol; (21)Boiling Point: 193.229 °C at 760 mmHg; (22)Vapour Pressure: 0.47 mmHg at 25°C.

Uses of Cyclooctanone: It can react with nitromethane to produce 1-nitromethyl-cis-cyclooctene. This reaction will need reagent N,N-dimethylethylenediamine, and the solvent benzene. The reaction time is 14 hours with heating, and the yield is about 83%.

Cyclooctanone can react with nitromethane to produce 1-nitromethyl-cis-cyclooctene

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: C1CCCC(=O)CCC1
(2)InChI: InChI=1/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2
(3)InChIKey: IIRFCWANHMSDCG-UHFFFAOYAI