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