m-Cymene - CAS 535-77-3
Catalog: |
BB028274 |
Product Name: |
m-Cymene |
CAS: |
535-77-3 |
Synonyms: |
1-methyl-3-propan-2-ylbenzene |
IUPAC Name: | 1-methyl-3-propan-2-ylbenzene |
Description: | m-Cymene (CAS# 535-77-3) is a miscellaneous reagent used in organic synthesis for oxygenation of alkylbenzenes with methylacridinium ion via photoinduced electron transfer. |
Molecular Weight: | 134.22 |
Molecular Formula: | C10H14 |
Canonical SMILES: | CC1=CC(=CC=C1)C(C)C |
InChI: | InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3 |
InChI Key: | XCYJPXQACVEIOS-UHFFFAOYSA-N |
Boiling Point: | 175 °C (lit.) |
Melting Point: | -64 °C (lit.) |
Purity: | > 99.0 % (GC) |
Density: | 0.861 g/cm3 |
Appearance: | Liquid |
Decomposition: | When heated to decomposition it emits acrid smoke and irritating vapors |
MDL: | MFCD00008891 |
LogP: | 3.11840 |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 1.72 [mmHg] |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2015188199-A1 | Carbohydrate-mediated purification of petrochemicals | 20140606 |
WO-2015152634-A1 | Organic light-emitting device | 20140404 |
WO-2015110491-A2 | Pyrazolo[1,5-a]pyrimidin-7-amine derivatives useful in therapy | 20140122 |
WO-2015100322-A1 | Benzamide and nicotinamide compounds and methods of using same | 20131224 |
WO-2015094207-A1 | Phosphinyl formamidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins | 20131218 |
PMID | Publication Date | Title | Journal |
22679871 | 20120501 | Contact and fumigant toxicity of Cyperus rotundus steam distillate constituents and related compounds to insecticide-susceptible and -resistant Blattella germanica | Journal of medical entomology |
22066402 | 20110701 | [Analysis of the constituents of volatile oil from Fructus Auranti Immaturus by GC-MS] | Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials |
17690735 | 20070601 | Natural compounds of Palestine flora. Comparison analysis by static headspace and steam distillation GC-MS of semivolatile secondary metabolites from leaves of cultivated Palestinian Majorana syriaca | Biomedical papers of the Medical Faculty of the University Palacky, Olomouc, Czechoslovakia |
16830826 | 20060401 | [GC-MS analysis of essential oils from Radix Angelicae Pubescentis] | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica |
15139106 | 20030701 | [Chemical components of essential oils from the herb of Ligularia virgaurea] | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica |
Complexity: | 94.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.109550447 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.109550447 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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