o-Cymene - CAS 527-84-4
Catalog: |
BB027948 |
Product Name: |
o-Cymene |
CAS: |
527-84-4 |
Synonyms: |
1-methyl-2-propan-2-ylbenzene |
IUPAC Name: | 1-methyl-2-propan-2-ylbenzene |
Description: | o-Cymene (CAS# 527-84-4) is an aromatic organic compound that can be synthesized from o-Toluic Acid (T536120). |
Molecular Weight: | 134.22 |
Molecular Formula: | C10H14 |
Canonical SMILES: | CC1=CC=CC=C1C(C)C |
InChI: | InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3 |
InChI Key: | WWRCMNKATXZARA-UHFFFAOYSA-N |
Boiling Point: | 178 °C (lit.) |
Melting Point: | -72--71 °C (lit.) |
Purity: | 95 % |
Density: | 0.877 g/cm3 |
Appearance: | Colorless liquid |
Decomposition: | When heated to decomposition it emits acrid smoke and irritating vapors |
LogP: | 3.11840 |
Stability: | Stable under recommended storage conditions |
Vapor Pressure: | 1.5 [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 |
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PMID | Publication Date | Title | Journal |
22797778 | 20120713 | Antimycobacterial activity of constituents from Foeniculum vulgare var. dulce grown in Mexico | Molecules (Basel, Switzerland) |
22510493 | 20120615 | Inhibition of cholinesterase by essential oil from food plant | Phytomedicine : international journal of phytotherapy and phytopharmacology |
22683894 | 20120608 | Chemical composition of essential oils of Litsea cubeba harvested from its distribution areas in China | Molecules (Basel, Switzerland) |
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 |
22799100 | 20120501 | Investigation of the volatile constituents of different Gynura species from two Chinese origins by SPME/GC-MS | Natural product communications |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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