Cycloheptanone , 99% , 502-42-1

CAS NO.：502-42-1

Empirical Formula: C7H12O

Molecular Weight: 112.17

MDL number: MFCD00004159

EINECS: 207-937-6

PRODUCT Properties

• 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
• Henry's Law Constant: 7.0×10^-1 mol/(m³Pa) at 25℃, Hilal et al. (2008)
• InChI: 1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2
• InChIKey: CGZZMOTZOONQIA-UHFFFAOYSA-N
• SMILES: O=C1CCCCCC1
• CAS DataBase Reference: 502-42-1(CAS DataBase Reference)
• NIST Chemistry Reference: Cycloheptanone(502-42-1)
• EPA Substance Registry System: Cycloheptanone (502-42-1)

Description and Uses

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.

Safety

• Symbol(GHS): GHS02
• Signal word: Warning
• Hazard statements: H226
• Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
• PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
• Hazard Codes: Xi,Xn
• Risk Statements: 10-36/37/38-41-22
• Safety Statements: 23-24/25-36-26-39
• RIDADR: UN 1987 3/PG 3
• WGK Germany: 3
• RTECS: GU3325000
• Hazard Note: Irritant
• TSCA: TSCA listed
• HazardClass: 3
• PackingGroup: III
• HS Code: 29142990
• Storage Class: 3 - Flammable liquids
• Hazard Classifications: Acute Tox. 4 Oral; Flam. Liq. 3
• Hazardous Substances Data: 502-42-1(Hazardous Substances Data)
• REACH Registrations: Active
• Limited Quantities: 5.0 L (1.3 gallons) (liquid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)