Cyclooctanone

Names

[ CAS No. ]:
502-49-8

[ Name ]:
Cyclooctanone

[Synonym ]:
EINECS 207-940-2
MFCD00001754
Cyclooctanone
cyclooctan-1-one

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
193.2±8.0 °C at 760 mmHg

[ Melting Point ]:
32-41 °C(lit.)

[ Molecular Formula ]:
C₈H₁₄O

[ Molecular Weight ]:
126.196

[ Flash Point ]:
72.8±0.0 °C

[ Exact Mass ]:
126.104462

[ PSA ]:
17.07000

[ LogP ]:
1.89

[ Vapour Pressure ]:
0.5±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.448

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GX9800000

CHEMICAL NAME :: Cyclooctanone

CAS REGISTRY NUMBER :: 502-49-8

BEILSTEIN REFERENCE NO. :: 1280738

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C8-H14-O

MOLECULAR WEIGHT :: 126.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 740 mg/kg

TOXIC EFFECTS :: Behavioral - excitement Behavioral - coma Cardiac - arrhythmias (including changes in conduction)

REFERENCE :: COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 254,2245,1962

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
C:Corrosive;

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
S45-S36/37/39-S26

[ RIDADR ]:
1325.0

[ WGK Germany ]:
3

[ RTECS ]:
GX9800000

[ Hazard Class ]:
4.1

[ HS Code ]:
2914299000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2914299000

[ Summary ]:
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles

Rh(I)-catalyzed intramolecular [3 + 2] cycloaddition of trans-vinylcyclopropane-enes.

J. Am. Chem. Soc. 130(23) , 7178-9, (2008)

Vinylcyclopropane (VCP) has been well applied as a five-carbon component, rather than a three-carbon component, in transition-metal catalyzed cycloadditions. Here we demonstrate a Rh(I)-catalyzed [3 +...

Total synthesis of (+/-)-asteriscanolide.

J. Org. Chem. 66(22) , 7443-8, (2001)

The total synthesis of asteriscanolide (1) has been achieved by taking advantage on an intermolecular Pauson-Khand cycloaddition and a ring-closing metathesis as key bond-forming transformations. The ...

Synthesis and antimicrobial evaluation of some new cyclooctanones and cyclooctane-based heterocycles.

Arch. Pharm. (Weinheim) 345(3) , 231-9, (2012)

The versatile synthon (E)-2-((dimethyl amino)methylene)cyclooctanone (2) was used as a key intermediate for the synthesis of cyclooctanones and cyclooctane-based heterocycles with pyrazole, isoxazole,...