502-42-1

Name Cycloheptanone
CAS 502-42-1
EINECS(EC#) 207-937-6
Molecular Formula C7H12O
MDL Number MFCD00004150
Molecular Weight 112.17
MOL File 502-42-1.mol
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Chemical Properties

Appearance clear colorless to yellow liquid
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.)
Fp  160 °F
storage temp.  Flammables area
form  Liquid
color  Clear colorless to yellow
Specific Gravity 0.951 (20℃)
Water Solubility  INSOLUBLE
Detection Methods GC
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 502-42-1(EPA Substance)
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Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H302
Precautionary statements  P210-P233-P240-P241-P242-P301+P312
Hazard Codes  Xi
Risk Statements 
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  UN 1987 3/PG 3
WGK Germany  3
RTECS  GU3325000
Hazard Note  Irritant
TSCA  Yes
REACH Registrations Active
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)

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Material Safety Data Sheet(MSDS)

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