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Steroids and sterols

MCA epoxide

Also known as 3-Methylcholanthrene epoxide, Cholanthrene, 3-methyl-, epoxide, Benz(j)aceanthrylene, 1,2-dihydro-3-methyl-, monoepoxide

CAS 12758-74-6Formula C21H16OMolar mass 284.36 g/mol
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MCA epoxide chemical structure, C21H16O, CAS 12758-74-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
12758-74-6
Formula
C21H16O
Molar mass
284.36 g/mol
HS code
291090
Category
Steroids and sterols

What is MCA epoxide?

Plain description, key identifiers and synonyms

MCA epoxide is a chemical substance with the molecular formula C21H16O and a molar mass of 284.36 g/mol. Its CAS registry number is 12758-74-6. The IUPAC name is 16-methyl-19-oxahexacyclo[11.7.1.02,11.05,10.017,21.018,20]henicosa-1,3,5,7,9,11,13,15-octaene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
16-methyl-19-oxahexacyclo[11.7.1.02,11.05,10.017,21.018,20]henicosa-1,3,5,7,9,11,13,15-octaene
CAS number
12758-74-6 CAS number cross-checked
Molecular formula
C21H16O
InChIKey
CFKGZRQWIHWAGS-UHFFFAOYSA-N
InChI
InChI=1S/C21H16O/c1-11-6-7-13-10-16-14-5-3-2-4-12(14)8-9-15(16)19-18(13)17(11)20-21(19)22-20/h2-10,17-18,20-21H,1H3
SMILES (canonical and isomeric)
CC1=CC=C2C=C3C(=C4C2C1C5C4O5)C=CC6=CC=CC=C63

Synonyms

  • 3-Methylcholanthrene epoxide
  • Cholanthrene, 3-methyl-, epoxide
  • Benz(j)aceanthrylene, 1,2-dihydro-3-methyl-, monoepoxide
  • 8-Methyl-5b,8a,8b,9a-tetrahydrobenzo[7,8]aceanthryleno[1,2-b]oxirene

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
284.36 g/molcalc.
Exact mass
284.1201 Dacalc.
LogP (octanol/water)
2.68calc.
Topological polar surface area
12.53 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
22calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.24calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1=CC2C3C(=C1)C=c1c(ccc4ccccc14)=C3C1OC12

C1=CC2C3C(=C1)C=c1c(ccc4ccccc14)=C3C1OC12

6 rings, 21 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

MCA epoxide suppliers

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MCA epoxide price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code MCA epoxide is traded under.

HS 2910.90Indicative HS code

Epoxides with a three-membered ring and their halogenated, sulphonated, nitrated or nitrosated derivatives…

World exports in 2024
$467M
−2.9% vs 2023, imports $501M
2019 to 2024
Top exporters
  1. Netherlands24.5%
  2. China19.7%
  3. Japan18.8%
Top importers
  1. United States17.6%
  2. Germany16.3%
  3. China10.8%
Reported customs values in USD, not prices.Full trade data

The HS code shown for MCA epoxide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about MCA epoxide, based on the data on this page

What is MCA epoxide?

MCA epoxide is a chemical substance with the molecular formula C21H16O and a molar mass of 284.36 g/mol. Its CAS registry number is 12758-74-6. The IUPAC name is 16-methyl-19-oxahexacyclo[11.7.1.02,11.05,10.017,21.018,20]henicosa-1,3,5,7,9,11,13,15-octaene.

What is the CAS number of MCA epoxide?

The CAS registry number of MCA epoxide is 12758-74-6.

What is the molecular formula and weight of MCA epoxide?

The molecular formula of MCA epoxide is C21H16O and its molar mass is 284.36 g/mol.

Is MCA epoxide hazardous?

No GHS hazard classification for MCA epoxide is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of MCA epoxide?

MCA epoxide is usually classified under HS code 291090 (Epoxides, epoxyalcohols, epoxyphenols and epoxyethers, with a three-membered ring, and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy MCA epoxide?

Post a free request on CompoundList and suppliers of MCA epoxide will send you quotes. Your contact details stay private until you accept a quote.

What is the price of MCA epoxide?

Suppliers quote MCA epoxide on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle MCA epoxide

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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