2,6-Dimethylnaphthalene - CAS 581-42-0
Catalog: |
BB029949 |
Product Name: |
2,6-Dimethylnaphthalene |
CAS: |
581-42-0 |
Synonyms: |
Naphthalene, 2,6-dimethyl-; NSC 36852; 2,6-Dimethyl-naphthalene |
IUPAC Name: | 2,6-dimethylnaphthalene |
Description: | 2,6-Dimethylnaphthalene (CAS# 581-42-0) is a polyaromatic hydrocarbon (PAH) environmental contaminant. 2,6-Dimethylnaphthalene is found in oil, coal and tar deposits and are produced by gasoline operating vehicles. It is a persistent environmental pollutant with carcinogenic and mutagenic activity.This compound is a contaminant of emerging concern (CECs). |
Molecular Weight: | 156.22 |
Molecular Formula: | C12H12 |
Canonical SMILES: | CC1=CC2=C(C=C1)C=C(C=C2)C |
InChI: | InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3 |
InChI Key: | YGYNBBAUIYTWBF-UHFFFAOYSA-N |
Boiling Point: | 262°C |
Melting Point: | 112°C |
Purity: | 95% |
Density: | 1.000±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Sparingly), Methanol (Slightly) |
Appearance: | White to Off-white Solid |
Storage: | Store at 2-8°C |
LogP: | 3.45660 |
GHS Hazard Statement: | H400 (97.67%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
27633901 | 20161201 | Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays | Toxicology in vitro : an international journal published in association with BIBRA |
22324881 | 20120701 | Methanogenic biodegradation of two-ringed polycyclic aromatic hydrocarbons | FEMS microbiology ecology |
21909312 | 20110801 | Polycyclic aromatic hydrocarbons in maternal and umbilical cord blood from pregnant Hispanic women living in Brownsville, Texas | International journal of environmental research and public health |
21319799 | 20110309 | Macrocyclic hosts for fullerenes: extreme changes in binding abilities with small structural variations | Journal of the American Chemical Society |
20526527 | 20100601 | Distribution, levels, and risk assessment of polycyclic aromatic hydrocarbons (PAHs) in some water bodies along the coastal belt of Ghana | TheScientificWorldJournal |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.093900383 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.093900383 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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