Cycloheptanone

CAS NO.：502-42-1
Empirical Formula: C7H12O
Molecular Weight: 112.17
MDL number: MFCD00004159
EINECS: 207-937-6
SAFETY DATA SHEET (SDS)
Update Date: 2024-08-21 22:41:43

What is Cycloheptanone?

Chemical properties

clear colorless to yellow liquid

The Uses of Cycloheptanone

Cycloheptanone is used as a precursor for the synthesis of pharmaceuticals. A spasmolytic agent and vasodilator is produced from this chemical. They are also used in certain stereospecific enzymatic reactions.

Synthesis Reference(s)

Canadian Journal of Chemistry, 47, p. 145, 1969 DOI: 10.1139/v69-016
Journal of the American Chemical Society, 98, p. 6717, 1976 DOI: 10.1021/ja00437a059

Synthesis

Cycloheptanone is produced by cyclization and decarboxylation of suberic acid (1,8-octanedioic acid) or suberic acid esters in the gas phase at 400 – 450℃ over alumina doped with zinc oxide or cerium oxide.

Purification Methods

Shake suberone with aqueous KMnO4 to remove material absorbing around 230-240nm, then dry it with Linde type 13X molecular sieves and fractionally distil it through a glass helix packed column. [Blicke et al. J Am Chem Soc 74 2924 1952, Dauben et al. Org Synth Coll Vol IV 221, 229 1963, Beilstein 7 H 13, 7 I 9, 7 II 14, 7 III 46, 7 IV 39.]

Properties of Cycloheptanone

Melting point:	-21°C
Boiling point:	179 °C (lit.)
Density	0.951 g/mL at 25 °C (lit.)
refractive index	n20/D 1.477(lit.)
Flash point:	160 °F
storage temp.	Flammables area
form	Liquid
color	Clear colorless to yellow
Specific Gravity	0.951 (20℃)
Water Solubility	INSOLUBLE
Merck	14,2722
BRN	969823
CAS DataBase Reference	502-42-1(CAS DataBase Reference)
NIST Chemistry Reference	Cycloheptanone(502-42-1)
EPA Substance Registry System	Cycloheptanone (502-42-1)

Safety information for Cycloheptanone

Signal word	Warning
Pictogram(s)	Flame Flammables GHS02 Exclamation Mark Irritant GHS07
GHS Hazard Statements	H226:Flammable liquids H302:Acute toxicity,oral
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.