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1193-18-6

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Basic Information
CAS No.: 1193-18-6
Name: 3-Methyl-2-cyclohexen-1-one
Article Data: 243
Molecular Structure:
Molecular Structure of 1193-18-6 (3-Methyl-2-cyclohexen-1-one)
Formula: C7H10O
Molecular Weight: 110.156
Synonyms: 1-Methyl-1-cyclohexen-3-one;3-Methyl-2-cyclohexen-1-one;3-Methyl-2-cyclohexene-1-one;MCH;NSC 43632;Seudenone;
EINECS: 214-769-7
Density: 0.964 g/cm3
Melting Point: -21°C
Boiling Point: 201 °C at 760 mmHg
Flash Point: 68.3 °C
Solubility: insoluble in water
Appearance: Clear very slightly yellow to brown liquid
Hazard Symbols: HarmfulXn
Risk Codes: 22-36-20/21/22
Safety: 36/37/39-26
PSA: 17.07000
LogP: 1.68570
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  • 3-Methyl-2-cyclohexenone

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    1193-18-6

    3-Methyl-2-cyclohexenone

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  • MCH,Methylcyclohexenone,3-Methyl-2-cyclohexen-1-one CAS No.1193-18-6

  • Casno:

    1193-18-6

    MCH,Methylcyclohexenone,3-Methyl-2-cyclohexen-1-one CAS No.1193-18-6

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  • Casno:

    1193-18-6

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Chemistry

Molecular Structure of 3-Methyl-2-cyclohexen-1-one (CAS NO.1193-18-6):

IUPAC Name: 3-Methylcyclohex-2-en-1-one 
Molecular Formula: C7H10O
Molecular Weight: 110.15
EINECS: 214-769-7
FEMA: 3360
XLogP3-AA: 0.8
H-Bond Donor: 0
H-Bond Acceptor: 1 
storage temp.: 2-8 °C
Index of Refraction: 1.474
Molar Refractivity: 32.1 cm3
Molar Volume: 114.2 cm3
Surface Tension: 31.1 dyne/cm
Density: 0.964 g/cm3
Flash Point: 68.3 °C
Enthalpy of Vaporization: 43.72 kJ/mol
Boiling Point: 201 °C at 760 mmHg
Vapour Pressure: 0.315 mmHg at 25 °C
Water Solubility: insoluble
Appearance: Clear very slightly yellow to brown liquid
Canonical SMILES: CC1=CC(=O)CCC1
InChI: InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3
InChIKey: IITQJMYAYSNIMI-UHFFFAOYSA-N
Product Categories: C7 to C8; Carbonyl Compounds; Ketones; Alphabetical Listings; Flavors and Fragrances; M-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600mg/kg (1600mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Agricultural and Food Chemistry. Vol. 35, Pg. 273, 1987.

Safety Profile

Safety Information of 3-Methyl-2-cyclohexen-1-one (CAS NO.1193-18-6):
Hazard Codes: HarmfulXn
Risk Statements: 22-36-20/21/22 
R22:Harmful if swallowed. 
R36:Irritating to eyes. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37/39-26 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: GW7340000

Specification

 3-Methyl-2-cyclohexen-1-one (CAS NO.1193-18-6), its Synonyms are 2-Cyclohexen-1-one, 3-methyl- ; 3-Methyl-2-cyclohexenone ; MCH ; Methylcyclohexenone ; Seudenone ; 3-Methylcyclohex-2-en-1-one .

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