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CAS No.: | 583-60-8 |
---|---|
Name: | 2-Methylcyclohexanone |
Article Data: | 543 |
Molecular Structure: | |
Formula: | C7H12O |
Molecular Weight: | 112.172 |
Synonyms: | (?à)-2-Methylcyclohexanone;2-Methyl-1-cyclohexanone;2-Methylcyclohexane-1-one;a-Methylcyclohexanone; |
EINECS: | 209-513-6 |
Density: | 0.912 g/cm3 |
Melting Point: | -14 °C |
Boiling Point: | 163.7 °C at 760 mmHg |
Flash Point: | 45.9 °C |
Solubility: | Insoluble in water. Soluble in methanol and diethyl ether. |
Appearance: | CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID |
Hazard Symbols: | Xn |
Risk Codes: | R10;R20 |
Safety: | S25 |
Transport Information: | UN 2297 |
PSA: | 17.07000 |
LogP: | 1.76560 |
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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
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. |
Reported in EPA TSCA Inventory.
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
OSHA PEL: TWA 50 ppm; STEL 75 ppm (skin)
ACGIH TLV: TWA 50 ppm (skin)
DFG MAK: 50 ppm (230 mg/m3)
For occupational chemical analysis use NIOSH: Methylcyclohexanone, 2521.
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.