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Screening compounds

Cryptoxanthin acetate

Also known as Cryptoxanthin monoacetate, (R)-All-trans-beta-caroten-3-ol monoacetate, beta,beta-Caroten-3-ol, 3-acetate, (3R)-

CAS 52209-35-5Formula C42H58O2Molar mass 594.92 g/mol
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Cryptoxanthin acetate chemical structure, C42H58O2, CAS 52209-35-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
52209-35-5
Formula
C42H58O2
Molar mass
594.92 g/mol
HS code
291539
Category
Screening compounds

What is Cryptoxanthin acetate?

Plain description, key identifiers and synonyms

Cryptoxanthin acetate is a chemical substance with the molecular formula C42H58O2 and a molar mass of 594.92 g/mol. Its CAS registry number is 52209-35-5. The IUPAC name is [(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] acetate
CAS number
52209-35-5
Molecular formula
C42H58O2
UNII
I6SI9I22OH
InChIKey
FMPGIACYOGJFQX-CPQPWORTSA-N
InChI
InChI=1S/C42H58O2/c1-31(19-14-21-33(3)24-26-39-35(5)23-16-28-41(39,8)9)17-12-13-18-32(2)20-15-22-34(4)25-27-40-36(6)29-38(44-37(7)43)30-42(40,10)11/h12-15,17-22,24-27,38H,16,23,28-30H2,1-11H3/b13-12+,19-14+,20-15+,26-24+,27-25+,31-17+,32-18+,33-21+,34-22+/t38-/m1/s1
Canonical SMILES
CC(=O)OC1CC(C)=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C)C(C)(C)C1
Isomeric SMILES
CC1=C(C(CCC1)(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[C@H](CC2(C)C)OC(=O)C)C)/C)/C

Synonyms

  • Cryptoxanthin monoacetate
  • (R)-All-trans-beta-caroten-3-ol monoacetate
  • beta,beta-Caroten-3-ol, 3-acetate, (3R)-

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
594.92 g/molcalc.
Exact mass
594.4437 Dacalc.
LogP (octanol/water)
12.15calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
11calc.
Heavy atoms
44calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.45calc.
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, C(=CC=CC=CC=CC=CC1=CCCCC1)C=CC=CC=CC=CC1=CCCCC1

C(=CC=CC=CC=CC=CC1=CCCCC1)C=CC=CC=CC=CC1=CCCCC1

2 rings, 30 atoms.

39 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.

Cryptoxanthin acetate suppliers

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Cryptoxanthin acetate 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 Cryptoxanthin acetate is traded under.

HS 2915.39Indicative HS code

Esters of acetic acid, other

World exports in 2024
$2.03B
+7.9% vs 2023, imports $1.95B
2019 to 2024
Top exporters
  1. China58.0%
  2. United States7.3%
  3. Germany6.5%
Top importers
  1. Singapore15.6%
  2. South Korea7.2%
  3. Indonesia6.9%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Cryptoxanthin acetate, based on the data on this page

What is Cryptoxanthin acetate?

Cryptoxanthin acetate is a chemical substance with the molecular formula C42H58O2 and a molar mass of 594.92 g/mol. Its CAS registry number is 52209-35-5.

What is the CAS number of Cryptoxanthin acetate?

The CAS registry number of Cryptoxanthin acetate is 52209-35-5.

What is the molecular formula and weight of Cryptoxanthin acetate?

The molecular formula of Cryptoxanthin acetate is C42H58O2 and its molar mass is 594.92 g/mol.

What is Cryptoxanthin acetate used for?

Known uses and roles of Cryptoxanthin acetate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cryptoxanthin acetate hazardous?

No GHS hazard classification for Cryptoxanthin acetate 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 Cryptoxanthin acetate?

Cryptoxanthin acetate is usually classified under HS code 291539 (Esters of acetic acid, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cryptoxanthin acetate?

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

What is the price of Cryptoxanthin acetate?

Suppliers quote Cryptoxanthin acetate 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 Cryptoxanthin acetate

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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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