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Cas Database

Name	2-Methylcyclohexanone	EINECS	209-513-6
CAS No.	583-60-8	Density	0.912 g/cm³
PSA	17.07000	LogP	1.76560
Solubility	Insoluble in water. Soluble in methanol and diethyl ether.	Melting Point	-14 °C
Formula	C₇H₁₂O	Boiling Point	163.7 °C at 760 mmHg
Molecular Weight	112.172	Flash Point	45.9 °C
Transport Information	UN 2297	Appearance	CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID
Safety	S25	Risk Codes	R10;R20
Molecular Structure		Hazard Symbols	Xn
Synonyms	(?à)-2-Methylcyclohexanone;2-Methyl-1-cyclohexanone;2-Methylcyclohexane-1-one;a-Methylcyclohexanone;	Article Data	543

2-Methylcyclohexanone Chemical Properties

Molecular Structure of 2-Methylcyclohexanone (CAS NO.583-60-8):

IUPAC Name: 2-methylcyclohexan-1-one
Empirical Formula: C₇H₁₂O
Molecular Weight: 112.1696
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 17.07Å²
Index of Refraction: 1.441
Molar Refractivity: 32.5 cm³
Molar Volume: 122.9 cm³
Surface Tension: 28.4 dyne/cm
Density: 0.912 g/cm³
Flash Point: 45.9 °C
Enthalpy of Vaporization: 40.02 kJ/mol
Boiling Point: 163.7 °C at 760 mmHg
Vapour Pressure: 2.04 mmHg at 25°C
Index of Refraction: 1.441
EINECS: 209-513-6
Melting Point: -14 °C
Storage temp: Flammables area
BRN: 506751
InChI
InChI=1/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3
Smiles
C1([C@@H](CCCC1)C)=O
Superlist Classification Code: TWA (50 ppm); STEL (75 ppm); skin; TWA 100 ppm (460 mg/m3); skin

2-Methylcyclohexanone Toxicity Data With Reference

1.	orl-rat LD50:1980 mg/kg	AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470.
2.	ihl-rat LCLo:2800 ppm/4H	AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470.
3.	ipr-mus LD50:200 mg/kg	NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. AD691-490 .
4.	ivn-mus LDLo:270 mg/kg	COREAF Comptes Rendus Hebdomadaires des Seances de lAcademie des Sciences. 236 (1953),633.
5.	orl-rbt LD50:1 g/kg	DTLVS* Documentation of Threshold Limit Values for Substances in Workroom Air. 4 (1980),272.
6.	skn-rbt LD50:1635 mg/kg	AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470.

2-Methylcyclohexanone Consensus Reports

Reported in EPA TSCA Inventory.

2-Methylcyclohexanone Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES and METHYLCYCLOHEXANONE; 3-METHYLCYCLOHEXANONE; 4-METHYLCYCLOHEXANONE.
Safety information of 2-Methylcyclohexanone (CAS NO.583-60-8):
Hazard Codes: Xn
Risk Statements
10 Flammable
20 Harmful by inhalation
Safety Statements:
25 Avoid contact with eyes
RIDADR: UN 2297 3/PG 3
WGK Germany: 1
RTECS: GW1750000
HazardClass: 3
PackingGroup: III

2-Methylcyclohexanone Standards and Recommendations

OSHA PEL: TWA 50 ppm; STEL 75 ppm (skin)
ACGIH TLV: TWA 50 ppm (skin)
DFG MAK: 50 ppm (230 mg/m³)

2-Methylcyclohexanone Analytical Methods

For occupational chemical analysis use NIOSH: Methylcyclohexanone, 2521.

2-Methylcyclohexanone Specification

2-Methylcyclohexanone , with CAS number of 583-60-8, can be called 2-Methyl-cyclohexanon ; 2-Methyl-1-cyclohexanone ; Methylanon ; alpha-Methylcyclohexanone ; o-Methylcyclohexanone . 2-Methylcyclohexanone (CAS NO.583-60-8) is used as a solvent.

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