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Screening compounds

4'-Hydroxyechinenone

Also known as 4-Hydroxyechinenone, 4-Keto-4'-hydroxy-I(2)-carotene, 4'-Hydroxy-beta,beta-caroten-4-one

CAS 2213-17-4Formula C40H54O2Molar mass 566.87 g/mol
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4'-Hydroxyechinenone chemical structure, C40H54O2, CAS 2213-17-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2213-17-4
Formula
C40H54O2
Molar mass
566.87 g/mol
HS code
291440
Category
Screening compounds

What is 4'-Hydroxyechinenone?

Plain description, key identifiers and synonyms

4'-hydroxyechinenone is a member of the class of carotenone that is echinenone carrying an additional hydroxy substituent at position 4'. It is a carotenone, a secondary alcohol and an enone. It is functionally related to an echinenone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
CAS number
2213-17-4
Molecular formula
C40H54O2
InChIKey
RONAGRFBGGXGHB-DKLMTRRASA-N
InChI
InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,37,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
Canonical SMILES
CC(C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(O)CCC1(C)C
Isomeric SMILES
CC1=C(C(CCC1O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C

Synonyms

  • 4-Hydroxyechinenone
  • 4-Keto-4'-hydroxy-I(2)-carotene
  • 4'-Hydroxy-beta,beta-caroten-4-one

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
566.87 g/molcalc.
Exact mass
566.4124 Dacalc.
LogP (octanol/water)
10.76calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
10calc.
Heavy atoms
42calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Fails (2 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, O=C1C=C(C=CC=CC=CC=CC=CC=CC=CC=CC=CC2=CCCCC2)CCC1

O=C1C=C(C=CC=CC=CC=CC=CC=CC=CC=CC=CC2=CCCCC2)CCC1

2 rings, 31 atoms.

6 other chemicals share 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.

4'-Hydroxyechinenone suppliers

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4'-Hydroxyechinenone price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

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 4'-Hydroxyechinenone is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 4'-Hydroxyechinenone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4'-Hydroxyechinenone, based on the data on this page

What is 4'-Hydroxyechinenone?

4'-hydroxyechinenone is a member of the class of carotenone that is echinenone carrying an additional hydroxy substituent at position 4'. It is a carotenone, a secondary alcohol and an enone. It is functionally related to an echinenone.

What is the CAS number of 4'-Hydroxyechinenone?

The CAS registry number of 4'-Hydroxyechinenone is 2213-17-4.

What is the molecular formula and weight of 4'-Hydroxyechinenone?

The molecular formula of 4'-Hydroxyechinenone is C40H54O2 and its molar mass is 566.87 g/mol.

What is 4'-Hydroxyechinenone used for?

Known uses and roles of 4'-Hydroxyechinenone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 4'-Hydroxyechinenone hazardous?

No GHS hazard classification for 4'-Hydroxyechinenone 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 4'-Hydroxyechinenone?

4'-Hydroxyechinenone is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 4'-Hydroxyechinenone?

Post a free request on CompoundList and suppliers of 4'-Hydroxyechinenone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 4'-Hydroxyechinenone?

Suppliers quote 4'-Hydroxyechinenone 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 4'-Hydroxyechinenone

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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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