3-METHYLCHOLANTHRENE supplier

Name
3-METHYLCHOLANTHRENE
EINECS 200-276-4
CAS No. 56-49-5
Article Data23
CAS DataBase
Density 1.223 g/cm³
Solubility

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Toxicology

Harmful if swallowed or inhaled and in contact with the skin.May cause reproductive harm. May act as a carcinogen. Serio

Melting Point 178-180ºC
Formula C21H16
Boiling Point 280 ºC 80 mm Hg(lit.)
Molecular Weight 268.358
Flash Point -5ºC
Transport Information
Appearance yellow crystalline solid
Safety Suspected carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Poison by intravenous and intraperitoneal routes. Experimental teratogenic and reproductive effects. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Risk Codes 45-36-20/21/22-11
Molecular Structure
Hazard Symbols Powerful carcinogen.
Synonyms Cholanthrene,3-methyl- (8CI); 20-MC; 20-Methylcholanthrene; 3-MC; 3-Methylcholanthrene; MCA;Methylcholanthrene; NSC 21970
PSA 0.00000
LogP 5.55320

Synthetic route

: 78606-95-8
6-acetoxy-3-methylcholanthrene

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
With hydrogen iodide; hypophosphorous acid In propionic acid for 0.166667h; Heating;	93%

: 102549-05-3
3ξ-(2-amino-phenyl)-2-(8-methyl-acenaphthen-3-yl)-acrylic acid

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
With 1,4-dioxane; sulfuric acid; isopentyl nitrite Reagens 4: Aethanol; anschliessendes Erwaermen mit Kupfer-Pulver und danach Erhitzen mit basischem Kupfer(II)-acetat unter vermindertem Druck;

: 5676-40-4
3α,7α-diacetoxy-12-one-5β-cholan-24-oic acid

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
at 320 - 340℃; Behandlung des Reaktionsprodukts mit Selen bei 320-340grad;

: 855740-55-5
3-methyl-2,2a,3,4-tetrahydro-1H-benz[j]aceanthrylen-5-one

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
With hydrogenchloride; amalgamated zinc Erhitzen des Reaktionsprodukts mit Platin/Kohle auf 280grad;

: 2458-08-4
3α,7α-dihydroxy-12-oxo-5β-cholan-24-oic acid

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
at 320 - 340℃; Behandlung des Reaktionsprodukts mit Selen bei 320-340grad;

: 100260-10-4
3-methyl-1,2,2a,3,4,5-hexahydro-benz[j]aceanthrylene

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
With selenium at 320 - 340℃;

: 63665-87-2
(7-methyl-indan-4-yl)-[1]naphthyl ketone

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
at 405 - 410℃;

: 859983-50-9
(4-methoxy-[1]naphthyl)-(7-methyl-indan-4-yl)-ketone

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
at 400℃;

: (2,7-dimethyl-indan-4-yl)-[1]naphthyl ketone

A: 56-49-5
methylcholanthrene

B: 63041-61-2
1,3-dimethyl-cholanthrene

Conditions

Conditions	Yield
at 405 - 410℃;

: 859962-13-3
(4-chloro-[1]naphthyl)-(7-methyl-indan-4-yl)-ketone

A: 56-49-5
methylcholanthrene

B: 63041-38-3
11-chloro-3-methyl-cholanthrene

Conditions

Conditions	Yield
at 410℃;

: 103047-58-1
1-[2-(8-methyl-acenaphthen-3-yl)-ethyl]-2-oxo-cyclohexanecarboxylic acid ethyl ester

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
With sulfuric acid Erhitzen des Reaktionsprodukts mit Palladium/Kohle auf 300-320grad;

: 100268-34-6
20-Methyl-2-oxo-2,3,4,5,6,7-hexahydro-cholanthren

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
(i) LiAlH4, (ii) Pd-C; Multistep reaction;

: 668-84-8
4-(3-Fluoro-1-naphthoyl)-7-methylhydrindene

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
at 405 - 415℃;

: 855293-72-0
4-Methyl-7-<4-fluor-naphthoyl-(1)>-hydrinden

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
at 410℃;

: 1'H-cholesta-2,4-dieno[3,2-b]indole

selenium: selenium

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
at 360℃;

(+-)-3-methyl-6.12b-dihydro-cholanthrene: (+-)-3-methyl-6.12b-dihydro-cholanthrene

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
With sulfur at 170℃;

4-methyl-7-carbonyl>-indan: 4-methyl-7-carbonyl>-indan

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
at 405 - 410℃; Bildung von 3-Methyl-<6-14C>cholanthren;

dehydronorcholene: dehydronorcholene

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
With selenium at 320 - 340℃;

4-methyl-7--indan: 4-methyl-7--indan

A: 56-49-5
methylcholanthrene

B <7-methyl-indanyl-(4)>--methane: <7-methyl-indanyl-(4)>--methane

Conditions

Conditions	Yield
at 385 - 410℃;

: 63042-15-9
12,23-cyclo-24-nor-5β-chol-12(23)-ene

selenium: selenium

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
at 320 - 340℃;

: 100260-10-4
3-methyl-1,2,2a,3,4,5-hexahydro-benz[j]aceanthrylene

selenium: selenium

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
at 330℃;

: 63041-50-9
3-methyl-1,2,6,12b-tetrahydro-benz[j]aceanthrylene

sulfur: sulfur

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
at 170℃;

(+-)-2.4-dimethyl-7--indan: (+-)-2.4-dimethyl-7--indan

A: 56-49-5
methylcholanthrene

B: 63041-61-2
1,3-dimethyl-cholanthrene

Conditions

Conditions	Yield
at 405 - 410℃;

4-methyl-7--indan: 4-methyl-7--indan

A: 56-49-5
methylcholanthrene

B: (7-methyl-indan-4-yl)-[1]naphthyl-methane

Conditions

Conditions	Yield
at 405 - 410℃;

: 63665-87-2
(7-methyl-indan-4-yl)-[1]naphthyl ketone

A: 56-49-5
methylcholanthrene

B <7-methyl-indanyl-(4)>--methane: <7-methyl-indanyl-(4)>--methane

Conditions

Conditions	Yield
at 405 - 410℃;

: 63042-15-9
12,23-cyclo-24-nor-5β-chol-12(23)-ene

selenium: selenium

A: 56-49-5
methylcholanthrene

B hydrocarbon C22H26: hydrocarbon C22H26

Conditions

Conditions	Yield
at 320 - 340℃;

...Expand

: C21H16O2

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 91 percent / Zn, KOH / pyridine; H2O; methanol / 2.5 h / Heating 2: 90 percent / ZnCl2 / acetic acid / 0.33 h / Heating 3: 93 percent / HI, hypophosphorus acid / propionic acid / 0.17 h / Heating View Scheme

: 2-(5-Methyl-indan-1-yl)-naphthalene-1-carboxylic acid

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 90 percent / ZnCl2 / acetic acid / 0.33 h / Heating 2: 93 percent / HI, hypophosphorus acid / propionic acid / 0.17 h / Heating View Scheme

: 855173-92-1
3-methyl-2a,3,4,5-tetrahydro-2H-benz[j]aceanthrylen-1-one

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: amalgamated zinc; concentrated aqueous HCl 2: selenium / 320 - 340 °C View Scheme

: 15085-20-8
4-Cyano-7-methylhydrindene

: 56-49-5
methylcholanthrene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: 410 °C View Scheme
Multi-step reaction with 2 steps 1: (i) Mg, (ii) aq. HCl, AcOH 2: 405 - 415 °C View Scheme

: 56-49-5
methylcholanthrene

: 25486-92-4
3-methyl-11,12-dihydrocholanthrene

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethyl acetate under 1034.3 Torr; for 18h; Ambient temperature;	100%

: 56-49-5
methylcholanthrene

A: 3343-10-0
3-methylbenzaceanthrylene

B: 3343-07-5
3-methyl-cholanthren-1-one

Conditions

Conditions	Yield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In water; acetic acid at 40℃; for 1h;	A 5% B 68%

: 108-31-6
maleic anhydride

: 56-49-5
methylcholanthrene

: 3-methyl-1,2-dihydro-6H-6,12b-ethano-benz[j]aceanthrylene-13r,14c-dicarboxylic acid-anhydride

Conditions

Conditions	Yield
With benzene

: 56-23-5
tetrachloromethane

: 505-14-6
thiocyanogen

: 56-49-5
methylcholanthrene

: 873416-71-8
3-methyl-cholanthren-1-ylsulfanyl cyanate

...Expand

: 505-14-6
thiocyanogen

: 56-49-5
methylcholanthrene

: 873416-71-8
3-methyl-cholanthren-1-ylsulfanyl cyanate

Conditions

Conditions	Yield
With tetrachloromethane

: 56-49-5
methylcholanthrene

A: 25486-92-4
3-methyl-11,12-dihydrocholanthrene

B: 35281-27-7
3-methyl-1,2,6,7,8,9,10,12b-octahydro-benz[j]aceanthrylene

Conditions

Conditions	Yield
With Pd-Pt; acetic acid; ethyl acetate Hydrogenation;
With acetic acid; ethyl acetate; platinum Hydrogenation;

: 56-49-5
methylcholanthrene

: 3343-07-5
3-methyl-cholanthren-1-one

Conditions

Conditions	Yield
With sodium dichromate; acetic acid at 20℃;
Multi-step reaction with 3 steps 1: benzene; lead (IV)-acetate; acetic acid / anschliessendes Versetzen mit Wasser 3: Na2Cr2O7; acetic acid / 20 °C View Scheme
Multi-step reaction with 3 steps 1: benzene; glacial acetic acid; lead (IV)-acetate / unter Kuehlung 3: Na2Cr2O7; acetic acid / 20 °C View Scheme

: 56-49-5
methylcholanthrene

A: 3343-07-5
3-methyl-cholanthren-1-one

B: 7319-59-7
acetic acid-(3-methyl-cholanthren-1-yl ester)

Conditions

Conditions	Yield
With lead(IV) acetate; acetic acid; benzene anschliessendes Versetzen mit Wasser;

: 56-49-5
methylcholanthrene

: 35281-27-7
3-methyl-1,2,6,7,8,9,10,12b-octahydro-benz[j]aceanthrylene

Conditions

Conditions	Yield
With i-Amyl alcohol; sodium

: 56-49-5
methylcholanthrene

: 85923-41-7
5-(6-Methyl-1,2-benzanthraquinoyl)acetic Acid

Conditions

Conditions	Yield
With sodium dichromate; acetic acid
With sodium dichromate; acetic acid
oxidation;
Multi-step reaction with 2 steps 1: tetrachloromethane 2: sodium dichromate; acetic acid View Scheme

: 56-49-5
methylcholanthrene

: 3343-01-9, 3343-12-2, 7390-95-6, 105967-38-2, 105967-39-3, 106034-11-1, 106034-12-2, 106034-13-3, 106034-14-4
(+/-)-cis-3-methyl-11,12-dihydro-cholanthrenediol-(11,12)

Conditions

Conditions	Yield
With pyridine; osmium(VIII) oxide; benzene Schuetteln des Reaktionsprodukts in Dichlormethan mit wss. KOH und Mannit;

: 56-49-5
methylcholanthrene

: 3,10-dimethyl-1,2,6,7,11,12,12a,12b-octahydro-6,12b;7,12a-di-[1,2]naphthaleno-cycloocta[1,2,3-cd;8,7,6-c'd']diindene

Conditions

Conditions	Yield
With benzene Sonnenlicht;

: 56-49-5
methylcholanthrene

: 63041-50-9
3-methyl-1,2,6,12b-tetrahydro-benz[j]aceanthrylene

Conditions

Conditions	Yield
With diethyl ether; sodium weiteres Reagens: Benzol; anschliessendes Behandeln mit Methanol;
With diethyl ether; lithium weiteres Reagens: Benzol; anschliessendes Behandeln mit Methanol;
With ammonia; iron(III) chloride; lithium

: 56-49-5
methylcholanthrene

: 3-methyl-1,2,6,12b-tetrahydro-benz[j]aceanthrylene-6-carboxylic acid

Conditions

Conditions	Yield
With diethyl ether; sodium; benzene Einleiten von Kohlendioxid in die Reaktionsloesung;

: 56-49-5
methylcholanthrene

: 3-methyl-1,2-dihydro-6H-benz[j]aceanthrylene-6,12b-dicarboxylic acid

Conditions

Conditions	Yield
With diethyl ether; lithium; benzene Einleiten von Kohlendioxid in das Reaktionsgemisch;

: 56-49-5
methylcholanthrene

: 546-67-8
lead(IV) tetraacetate

: 64-19-7
acetic acid

: 71-43-2
benzene

A: 3343-07-5
3-methyl-cholanthren-1-one

B: 7319-59-7
acetic acid-(3-methyl-cholanthren-1-yl ester)

Conditions

Conditions	Yield
at 0℃;

...Expand

: 56-49-5
methylcholanthrene

: 74-88-4
methyl iodide

: 90823-02-2
6,12b-Dihydro-3,6-dimethylcholanthrene

Conditions

Conditions	Yield
With n-butyl magnesium bromide ether, benzene (1:1), 5 min, room temp.; Yield given. Multistep reaction;

3-METHYLCHOLANTHRENE Chemical Properties

MF: C₂₁H₁₆
MW: 268.35
EINECS: 200-276-4
3-METHYLCHOLANTHRENE.it's melting point is 178-180 °C(lit.);boiling point is 280 °C at 80 mm Hg(lit.) .It's appearance is yellow crystals.
Following is the molecular structure of 3-METHYLCHOLANTHRENE:

3-METHYLCHOLANTHRENE Toxicity Data With Reference

1.	otr-hmn:lng 500 μg/L/2W	GANNA2 Gann. Japanese Journal of Cancer Research. 74 (1983),615.
2.	sce-hmn:fbr 1 mmol/L	MUREAV Mutation Research. 117 (1983),47.
3.	orl-rat TDLo:600 mg/kg (MGN):CAR,TER	CNREA8 Cancer Research. 12 (1952),296.
4.	orl-rat TDLo:600 mg/kg (female 60D pre):CAR	CNREA8 Cancer Research. 12 (1952),296.
5.	orl-rat TDLo:600 mg/kg (multi) :CAR	CNREA8 Cancer Research. 12 (1952),296.
6.	orl-mus TDLo:21 mg/kg (15-17D post):CAR,TER	TXAPA9 Toxicology and Applied Pharmacology. 72 (1984),427.
7.	skn-mus TDLo:120 mg/kg (MGN):CAR,TER	BEXBAN Bulletin of Experimental Biology and Medicine. Translation of BEBMAE. 71 (1971),677.
8.	ipr-mus TDLo:5 mg/kg (17D post):CAR,TER	CRNGDP Carcinogenesis. 6 (1985),1389.
9.	ipr-mus LDLo:100 mg/kg	TXAPA9 Toxicology and Applied Pharmacology. 23 (1972),288.
10.	irn-frg LDLo:9 mg/kg	CNREA8 Cancer Research. 24 (1964),1969.

3-METHYLCHOLANTHRENE Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

3-METHYLCHOLANTHRENE Safety Profile

Suspected carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Poison by intravenous and intraperitoneal routes. Experimental teratogenic and reproductive effects. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

Hazard Codes: T,Xn,F (Toxic;Harmful;Highly Flammable)
Risk Statements:
R45-36-20/21/22-11 (May cause cancer ;Irritating to the eyes ;Harmful by inhalation, in contact with skin and if swallowed Highly Flammable )
Safety Statements :
S53-36/37/39-45-26-16 (Avoid exposure - obtain special instruction before use ;Wear suitable protective clothing, gloves and eye/face protection; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) ;In case of contact with eyes, rinse immediately with plenty of water and seek medical advice ;Keep away from sources of ignition - No smoking)

3-METHYLCHOLANTHRENE Specification

HANDLING and STORAGE about 3-METHYLCHOLANTHRENE:
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Do not get on skin and clothing. Do not ingest or inhale. Use with adequate ventilation. Do not breathe dust.
Storage:
Store in a tightly closed container. Store in a cool, dry,well-ventilated area away from incompatible substances.storage temp:2-8°C

Product Name

3-METHYLCHOLANTHRENE

Stability

Toxicology

Synthetic route

3-METHYLCHOLANTHRENE Chemical Properties

3-METHYLCHOLANTHRENE Toxicity Data With Reference

3-METHYLCHOLANTHRENE Consensus Reports

3-METHYLCHOLANTHRENE Safety Profile

3-METHYLCHOLANTHRENE Specification

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