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Cas Database

Name	Cyclooctane-1,3-dione	EINECS	N/A
CAS No.	935-29-5	Density	1.039 g/cm³
PSA	34.14000	LogP	1.47880
Solubility	N/A	Melting Point	56-58 °C
Formula	C₈H₁₂O₂	Boiling Point	267.379 °C at 760 mmHg
Molecular Weight	140.182	Flash Point	98.996 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Cyclooctane-1,3-dione;	Article Data	15

Cyclooctane-1,3-dione Synthetic route

: 80893-84-1
1,7-bis(trimethylsiloxy)bicyclo[5.1.0]octane

: 935-29-5
1,3-cyclooctanedione

Conditions

Conditions	Yield
With iron(III) chloride In N,N-dimethyl-formamide at 60℃; for 16h;	73%
With iron(III) chloride In N,N-dimethyl-formamide at 60 - 70℃; for 3.25h;
With iron(III) chloride In N,N-dimethyl-formamide at 60℃;

: 57260-84-1
9-oxabicyclo[6.1.0]nonan-2-one

: 935-29-5
1,3-cyclooctanedione

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); 1,2-bis-(diphenylphosphino)ethane In toluene at 140℃; for 96h;	52%
With 4-(1-hydroxy-2-(methylamino)ethyl)-1,2-phenylene bis(2,2-dimethylpropanoate); tetrakis(triphenylphosphine) palladium(0) In toluene at 140℃; for 96h;	52%

: 78743-58-5
2-Hydroxy-2-methoxymethyl-cycloheptanone

: 935-29-5
1,3-cyclooctanedione

Conditions

Conditions	Yield
With potassium hydrogensulfate at 170 - 180℃; under 20 - 25 Torr;	51%

: 23202-10-0
(Z)-cyclooct-2-enone

: 935-29-5
1,3-cyclooctanedione

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; sodium tetrachloropalladate(II) In water; isopropyl alcohol at 50℃; Wacker-Tsuji oxidation; Inert atmosphere;	37%

: 50338-48-2
1-Trimethylsiloxy-bicyclo[5.1.0]octan

A: 37996-43-3
3-hydroxycyclooctan-1-one

B: 935-29-5
1,3-cyclooctanedione

Conditions

Conditions	Yield
With bis(acetylacetonate)oxovanadium; oxygen In ethanol Ambient temperature;	A 31% B 33%
With vanadyl acetylacetonate; oxygen In ethanol at 20℃; for 20h;	A 31% B 33%

: 291273-22-8
cis-cyclooctane-1,3-diol

: 935-29-5
1,3-cyclooctanedione

Conditions

Conditions	Yield
With chromium(VI) oxide In acetone

: 6498-54-0
1-Chlor-3-brom-cycloocten-(1)

: 935-29-5
1,3-cyclooctanedione

Conditions

Conditions	Yield
Multistep reaction;

: 6518-11-2
1-Brom-cyclooct-1-en-3-on

: 935-29-5
1,3-cyclooctanedione

Conditions

Conditions	Yield
(i) Mor, (ii) aq. HCl; Multistep reaction;

: 19719-90-5
1,2-Bis-(trimethylsiloxy)-cyclohepten-(1)

: 75-25-2
Bromoform

Et2Zn: Et2Zn

: 935-29-5
1,3-cyclooctanedione

Conditions

Conditions	Yield
solvent: toluene, 0 grad C, 1 hr.; Yield given. Multistep reaction;

trans-cyclooctane-1,3-diol: trans-cyclooctane-1,3-diol

: 935-29-5
1,3-cyclooctanedione

Conditions

Conditions	Yield
With chromium(VI) oxide

Cyclooctane-1,3-dione Specification

The CAS registry number of Cyclooctane-1,3-dione is 935-29-5. This chemical's molecular formula is C₈H₁₂O₂ and molecular weight is 140.1797. Its systematic name is called cyclooctane-1,3-dione.

Physical properties of Cyclooctane-1,3-dione: (1)ACD/LogP: -0.07; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 22; (5)ACD/KOC (pH 7.4): 22; (6)#H bond acceptors: 2; (7)Index of Refraction: 1.463; (8)Molar Refractivity: 37.155 cm³; (9)Molar Volume: 134.926 cm³; (10)Surface Tension: 36.296 dyne/cm; (11)Density: 1.039 g/cm³; (12)Flash Point: 98.996 °C; (13)Enthalpy of Vaporization: 50.54 kJ/mol; (14)Boiling Point: 267.379 °C at 760 mmHg; (15)Vapour Pressure: 0.008 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CC(=O)CCCCC1
(2)InChI: InChI=1/C8H12O2/c9-7-4-2-1-3-5-8(10)6-7/h1-6H2
(3)InChIKey: OOOLFZKAFMJAJK-UHFFFAOYAH

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