Cycloheptanone

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Names

[ CAS No. ]:
502-42-1

[ Name ]:
Cycloheptanone

[Synonym ]:
cycloheptan-1-one
Suberone
cyclo-heptanone
Ketoheptamethylene
cycloheptanon
cycloheptyloxy
octanolactone
Suberon
Ketocycloheptane
Cycloheptanone
MFCD00004150
1-cycloheptanone
EINECS 207-937-6
2-cycloheptane-1-one

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
180.0±0.0 °C at 760 mmHg

[ Melting Point ]:
-21°C

[ Molecular Formula ]:
C7H12O

[ Molecular Weight ]:
112.170

[ Flash Point ]:
55.6±0.0 °C

[ Exact Mass ]:
112.088814

[ PSA ]:
17.07000

[ LogP ]:
1.33

[ Vapour Pressure ]:
0.9±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.450

[ Water Solubility ]:
INSOLUBLE

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU3325000
CHEMICAL NAME :
Cycloheptanone
CAS REGISTRY NUMBER :
502-42-1
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C7-H12-O
MOLECULAR WEIGHT :
112.19
WISWESSER LINE NOTATION :
L7VTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
750 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
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
930 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - coma Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 50,199,1903

Safety Information

[ Symbol ]:

GHS02, GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H302-H318

[ Precautionary Statements ]:
P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R10

[ Safety Phrases ]:
S23-S24/25

[ RIDADR ]:
UN 1987 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
GU3325000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2914299000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Cycloheptanol
  • 2-cycloheptenone
  • cycloheptyloxy(trimethyl)silane
  • CYCLOHEPTANONE OXIME
  • cyclohept-4-en-1-one
  • Cycloheptane
  • Cycloheptanamine
  • Cycloheptanone ethane-1,2-diyl dithioacetal
  • Octanedioic acid
  • 1,4-dioxaspiro[4.6]undecane

DownStream

  • 3-Mesityl-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-3-ium perchlorate
  • 4,4-dimethyl-1,4a,5,6,7,8,9,9a-octahydrocyclohepta[c]pyran-3-one
  • 2-(1,3-benzodithiol-2-yl)cycloheptan-1-one
  • 2-OXO-2,5,6,7,8,9-HEXAHYDRO-1H-CYCLOHEPTA[B]-PYRIDINE-3-CARBOXYLIC ACID
  • 7-iodo-1-phenylheptan-1-one
  • 2-bromo-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
  • oxocane-2-thione
  • 4-CHLOROPHENYL CYCLOHEXYL KETONE
  • Pyrylium, 2,4,6-triphenyl-, chloride

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

Method transfer from high-pressure liquid chromatography to ultra-high-pressure liquid chromatography. II. Temperature and pressure effects.

J. Chromatogr. A. 1401 , 52-9, (2015)

The importance of the generated temperature and pressure gradients in ultra-high-pressure liquid chromatography (UHPLC) are investigated and compared to high-pressure liquid chromatography (HPLC). The...

Method transfer from high-pressure liquid chromatography to ultra-high-pressure liquid chromatography. I. A thermodynamic perspective.

J. Chromatogr. A. 1362 , 206-17, (2014)

This is the first investigation in a series that aims to enhance the scientific knowledge needed for reliable analytical method transfer between HPLC and UHPLC using the quality by design (QbD) framew...

Optimization of startup and shutdown operation of simulated moving bed chromatographic processes

J. Chromatogr. A. 1218(25) , 3876-89, (2011)

Abstract This paper presents new multistage optimal startup and shutdown strategies for simulated moving bed (SMB) chromatographic processes. The proposed concept allows to adjust transient operating ...


More Articles

Related Compounds

  • cycloheptanoneazine
  • CYCLOHEPTANONE OXIME
  • cycloheptanone oxide
  • 2-Iodocycloheptanone
  • 2-BROMOCYCLOHEPTANONE
  • 2-Aminocycloheptanone
  • Ethyl (R)-1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole-4-carboxylate Hydrochloride
  • 3-[(1-methyl-1H-pyrazol-5-yl)methyl]piperidin-3-ol
  • 9-(Methoxymethyl)-2,2-dimethyl-5-oxa-8-azaspiro[3.5]nonane
  • 4-(3-bromo-2,2-dimethylpropyl)-1-methyl-1H-imidazole
  • 2,2-Dimethyl-9-(2-methylpropyl)-5-oxa-8-azaspiro[3.5]nonane
  • tert-butyl N-[1-(morpholin-3-yl)cyclohexyl]carbamate
  • (3R)-1-amino-5-fluoropentan-3-ol
  • 9-Butyl-5-oxa-8-azaspiro[3.5]nonane
  • tert-butyl N-{1-[1-(aminooxy)ethyl]cyclohexyl}carbamate
  • 2-[3-Chloro-5-(trifluoromethyl)phenyl]ethane-1-thiol