Title: Cymene
CAS Registry Number: 25155-15-1
CAS Name: Methyl(1-methylethyl)benzene
Additional Names: isopropyltoluene; methylisopropylbenzene
Molecular Formula: C10H14
Molecular Weight: 134.22
Percent Composition: C 89.49%, H 10.51%
Literature References: Usually prepd by alkylation of toluene; m-, o- and p-isomers obtained: Allen, Yats, J. Am. Chem. Soc. 83, 2799 (1961). Purification and properties of the three isomers: Streiff et al., Anal. Chem. 27, 411 (1955). Separation of the three isomers by gas chromatography: Rihani, Froment, J. Chromatogr. 18, 150 (1965). Toxicity study: P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964).
Derivative Type: m-Cymene
CAS Registry Number: 535-77-3
Additional Names: 1-Methyl-3-(1-methylethyl)benzene
Properties: Liquid, bp 175.14°. mp -63.75°. d420 0.8610, d425 0.8570. nD20 1.4930, nD25 1.4906. Practically insol in water. Miscible with alcohol, ether.
Melting point: mp -63.75°
Boiling point: bp 175.14°
Index of refraction: nD20 1.4930; nD25 1.4906
Density: d420 0.8610; d425 0.8570
Derivative Type: o-Cymene
CAS Registry Number: 527-84-4
Additional Names: 1-Methyl-2-(1-methylethyl)benzene
Properties: Liquid, bp 178.15°. mp -71.54°; also reported as -75.24° and -81.53° for two unstable solid forms (Streiff). d420 0.8766, d425 0.8726. nD20 1.5006, nD25 1.4982. Practically insol in water. Miscible with organic solvents.
Melting point: mp -71.54°; also reported as -75.24° and -81.53° for two unstable solid forms (Streiff)
Boiling point: bp 178.15°
Index of refraction: nD20 1.5006; nD25 1.4982
Density: d420 0.8766; d425 0.8726
Derivative Type: p-Cymene
CAS Registry Number: 99-87-6
Additional Names: 1-Methyl-4-(1-methylethyl)benzene; Dolcymene
Properties: Occurs in a number of essential oils. Liquid, bp 177.10°. mp -67.94°. d420 0.8573, d425 0.8533. nD20 1.4909, nD25 1.4885. Flash pt, closed cup: 117°F (47°C). Practically insol in water. Misc with alcohol, ether. LD50 orally in rats: 4750 mg/kg (Jenner).
Melting point: mp -67.94°
Boiling point: bp 177.10°
Flash point: Flash pt, closed cup: 117°F (47°C)
Index of refraction: nD20 1.4909; nD25 1.4885
Density: d420 0.8573; d425 0.8533
Toxicity data: LD50 orally in rats: 4750 mg/kg (Jenner)
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