ChemicalBook--->CAS DataBase List--->502-49-8

502-49-8

502-49-8 Structure

502-49-8 Structure
IdentificationMore
[Name]

CYCLOOCTANONE
[CAS]

502-49-8
[Synonyms]

CYCLOOCTAN-1-ONE
CYCLOOCTANONE
TIMTEC-BB SBB008888
Cyclooctanone,97%
Azelaone
[EINECS(EC#)]

207-940-2
[Molecular Formula]

C8H14O
[MDL Number]

MFCD00001754
[Molecular Weight]

126.2
[MOL File]

502-49-8.mol
Chemical PropertiesBack Directory
[Appearance]

colorless to white crystalline low melting solid
[Melting point ]

32-41 °C (lit.)
[Boiling point ]

195-197 °C (lit.)
[density ]

0.958 g/mL at 25 °C(lit.)
[refractive index ]

1.4694
[Fp ]

163 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

15g/l
[form ]

Crystalline Low Melting Solid
[color ]

Colorless to white
[PH]

7 (15g/l, H2O, 20℃)
[Water Solubility ]

Soluble in water at 20°C 15g/L. Soluble in acetone, alcohol, chloroform, methanol and benzene.
[Detection Methods]

GC
[BRN ]

1280738
[InChI]

1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2
[InChIKey]

IIRFCWANHMSDCG-UHFFFAOYSA-N
[SMILES]

O=C1CCCCCCC1
[LogP]

2.11
[CAS DataBase Reference]

502-49-8(CAS DataBase Reference)
[EPA Substance Registry System]

502-49-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P280-P303+P361+P353-P305+P351+P338+P310
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

1759
[WGK Germany ]

3
[RTECS ]

GX9800000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[HS Code ]

29142990
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Methanol-->Sulfuric acid-->Sodium hydride-->p-Xylene-->Azelaic acid-->Hydroperoxide, cyclooctyl-->Cyclooctanone, 2-iodo--->1,4-Dioxaspiro[4.7]dodecane-->cis-9-oxabicyclo[6.1.0]nonane-->Cyclooctanecarboxylic acid-->Cyclooctylamine-->Cyclooctane-->Cyclooctanol
[Preparation Products]

8-Aminooctanoic acid-->oxonan-2-one-->Spiro[3.7]undecan-1-one-->6H-Cyclooct[b]indol-6-one, 5,7,8,9,10,11-hexahydro-
Hazard InformationBack Directory
[Chemical Properties]

colorless to white crystalline low melting solid
[Uses]

Cyclooctanone is a aliphatic cycle that exhibited inhibitory activity towards aldosterone synthase, a promising therapeutic target for the treatment of cardiovascular diseases related to abnormally high aldosterone level.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 92, p. 5276, 1970 DOI: 10.1021/ja00720a078
The Journal of Organic Chemistry, 49, p. 3912, 1984 DOI: 10.1021/jo00195a007
Tetrahedron Letters, 36, p. 2921, 1995 DOI: 10.1016/0040-4039(95)00467-Q
[Purification Methods]

Purify the ketone by sublimation after drying with Linde type 13X molecular sieves. The semicarbazone has m 168-169o (from dioxane) [Kohler et al. J Am Chem Soc 61 1060 1939]. The oxime has m 36-37o after subliming at high vacuum or distillation and has b 128-129o /14mm. The iso-oxime has m 72-73o [Ruzicka et al. Helv Chim Acta 32 548 1949]. [Beilstein 7 III 77, 7 IV 49.]
Spectrum DetailBack Directory
[Spectrum Detail]

CYCLOOCTANONE(502-49-8)MS
CYCLOOCTANONE(502-49-8)1HNMR
CYCLOOCTANONE(502-49-8)13CNMR
CYCLOOCTANONE(502-49-8)IR1
CYCLOOCTANONE(502-49-8)IR2
CYCLOOCTANONE(502-49-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Cyclooctanone, 98%(502-49-8)
[Alfa Aesar]

Cyclooctanone, 98%(502-49-8)
[Sigma Aldrich]

502-49-8(sigmaaldrich)
[TCI AMERICA]

Cyclooctanone,>97.0%(GC)(502-49-8)
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