3-Methyl-2-cyclohexen-1-one supplier

Name
3-Methyl-2-cyclohexen-1-one
EINECS 214-769-7
CAS No. 1193-18-6
Article Data243
CAS DataBase
Density 0.964 g/cm³
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
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;
PSA 17.07000
LogP 1.68570

3-Methyl-2-cyclohexen-1-one Chemical Properties

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

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: Harmful 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 .

Product Name

3-Methyl-2-cyclohexen-1-one

3-Methyl-2-cyclohexen-1-one Chemical Properties

3-Methyl-2-cyclohexen-1-one Toxicity Data With Reference

3-Methyl-2-cyclohexen-1-one Safety Profile

3-Methyl-2-cyclohexen-1-one Specification

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