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3-Methylcholanthrene

3-Methylcholanthrene structure

CAS No:
56-49-5
Formula:
C21H16
Chemical Name:
3-Methylcholanthrene
Synonyms:
Benz[j]aceanthrylene,1,2-dihydro-3-methyl-;Cholanthrene,3-methyl-;1,2-Dihydro-3-methylbenz[j]aceanthrylene;20-MC;3-MC;Methylcholanthrene;20-Methylcholanthrene;3-Methylcholanthrene;MCA;NSC 21970;3-Methyl-1,2-dihydrobenzo[j]aceanthrylene;3-Methyl-1,2-dihydrocyclopenta[ij]tetraphene;345299-31-2
Categories:
Chemical Reagents > Organic Reagents

Description

Yellow Crystalline Solid The term “coal tar products,” as used by NIOSH, includes coal tar and two of the fractionation products of coal tar, creosote and coal tar pitch, derived from the carbonization of bituminous coal. Coal tar, coal tar pitch, and creosote (coal tar creosote 8001-58-9) derived from bituminous coal often contain identifiable components which by themselves are carcinogenic, such as benzo(a) pyrene, benzanthracene, chrysene, and phenanthrene. Other chemicals from coal tar prod

3-Methylcholanthrene Basic Attributes

Molecular Weight：

268.35

Exact Mass：

268.35

EC Number：

200-276-4

HScode：

2902909090

Characteristics

PSA：

XLogP3：

6.42

Appearance：

3-methylcholanthrene appears as yellow crystals or solid. (NTP, 1992)

Density：

1.28 g/cm³ @ Temp: 20 °C

Melting Point：

179 °C

Boiling Point：

280 °C @ Press: 80 Torr

Flash Point：

-5 °C

Refractive Index：

1.781

Water Solubility：

3-Methyl cholanthrene solubility in a mixed lipid/sodium taurocholate bile salt system was minimal below the critical miocelle concentration of the bile salt.

Storage Conditions：

2-8°C

Vapor Pressure：

4.3X10-8 mm Hg at 25 deg C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

wgk germany：

hazard class code：

45-36-20/21/22-11-53

safety instructions：

53-36/37/39-45-36-26-16-36/37

RTECS Number：

FZ3675000

Marks：

T,Xn,F

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P201-P308 + P313

Hazard Statements：

H350-H413

3-Methylcholanthrene Use and Manufacturing

A carcinogen

Computed Properties

Molecular Weight:268.4
XLogP3:6.4
Exact Mass:268.125200510
Monoisotopic Mass:268.125200510
Heavy Atom Count:21
Complexity:399
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes