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6-Methylchrysene

6-Methylchrysene structure

CAS No:
1705-85-7
Formula:
C19H14
Chemical Name:
6-Methylchrysene
Synonyms:
Chrysene,6-methyl-;6-Methylchrysene
Categories:
Analytical Chemistry > Standard

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Description

6-Methylchrysene is a carbopolycyclic compound.

6-Methylchrysene Basic Attributes

Molecular Weight：

242.31

Exact Mass：

242.31

EC Number：

216-942-2

UNII：

AJ0QU2286V

DSSTox ID：

DTXSID3074814

HScode：

2902909090

Characteristics

PSA：

XLogP3：

6.37

Density：

1.1011 (estimate)

Melting Point：

161-161.4 °C

Boiling Point：

465.14°C (rough estimate)

Flash Point：

217.8±13.7 °C

Refractive Index：

1.7480 (estimate)

Water Solubility：

2.68e-07 M

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 3077 9 / PGIII

hazard class code：

22-50

safety instructions：

Marks：

Precautionary statement(s)：

P273-P501

Hazard Statements：

H302-H410

GHS Classification：

|Warning|H302 (76%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P273, P301+P312, P309+P311, P330, P391, P405, and P501|Aggregated GHS information provided by 53 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

6-methylchrysene has known human metabolites that include 6-MeC-1,2-diol.

MeSH Entry Terms：

6-methylchrysene

6-Methylchrysene Use and Manufacturing

6-Methylchrysene is one of the methylated chrysenes (MeChry), as an aryl hydrocarbon receptor (AhR) agonist. Methylated chrysenes (MeChry) are important cigarette smoke constituents and 6-MeChry has been listed as possibly carcinogenic to humans.

Computed Properties

Molecular Weight:242.3
XLogP3:6
Exact Mass:242.109550447
Monoisotopic Mass:242.109550447
Heavy Atom Count:19
Complexity:320
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes