3-Ethyltoluene - CAS 620-14-4
Catalog: |
BB031379 |
Product Name: |
3-Ethyltoluene |
CAS: |
620-14-4 |
Synonyms: |
1-ethyl-3-methylbenzene |
IUPAC Name: | 1-ethyl-3-methylbenzene |
Description: | 3-Ethyltoluene (CAS# 620-14-4) is a useful research chemical. |
Molecular Weight: | 120.19 |
Molecular Formula: | C9H12 |
Canonical SMILES: | CCC1=CC=CC(=C1)C |
InChI: | InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3 |
InChI Key: | ZLCSFXXPPANWQY-UHFFFAOYSA-N |
Boiling Point: | 161.5 °C |
Density: | 0.865 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00009259 |
LogP: | 2.55740 |
Vapor Pressure: | 3.04 [mmHg] |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P301+P310, P303+P361+P353, P304+P340, P312, P331, P370+P378, P391, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113292475-A | Preparation method of bis-indole phenethylene compound | 20210617 |
CN-112999310-A | Traditional Chinese medicine composition for preventing myopia and preventing myopia from getting severe and application thereof | 20210511 |
CN-113075346-A | Gas chromatography separation analysis method based on aromatic macrocycle, molecular cage and pillar quinone and application | 20210401 |
CN-113071238-A | Small membrane stained paper not prone to bursting, and preparation method and application method thereof | 20210329 |
CN-112958099-A | Catalyst for vinyl toluene production and preparation method and application thereof | 20210301 |
PMID | Publication Date | Title | Journal |
18227926 | 20070901 | Antimicrobial Activities of Essential Oil and Methanol Extract of Teucrium montanum | Evidence-based complementary and alternative medicine : eCAM |
16497524 | 20061101 | Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods | Journal of molecular graphics & modelling |
15923082 | 20050831 | Influence of ethanol-gasoline blended fuel on emission characteristics from a four-stroke motorcycle engine | Journal of hazardous materials |
15916423 | 20050602 | Decoys for docking | Journal of medicinal chemistry |
3711022 | 19860601 | Identification of cis-diols as intermediates in the oxidation of aromatic acids by a strain of Pseudomonas putida that contains a TOL plasmid | Journal of bacteriology |
Complexity: | 76.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 120.093900383 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.093900383 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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