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Screening compounds

Isocryptoxanthin

Also known as 4-hydroxy-beta,beta-carotene, beta,beta-caroten-4-ol, all-trans-Isocryptoxanthin

CAS 472-62-8Formula C40H56OMolar mass 552.89 g/mol
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Isocryptoxanthin chemical structure, C40H56O, CAS 472-62-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
472-62-8
Formula
C40H56O
Molar mass
552.89 g/mol
HS code
290619
Category
Screening compounds

What is Isocryptoxanthin?

Plain description, key identifiers and synonyms

4-hydroxy-all-trans-beta-carotene is a beta-carotene carrying one additional hydroxy substituent at position 4. It is functionally related to a beta-carotene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,4,4-trimethyl-3-[(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-2-en-1-ol
CAS number
472-62-8
Molecular formula
C40H56O
InChIKey
JCRCKXUPYKELBT-QQGJMDNJSA-N
InChI
InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26,38,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
Canonical SMILES
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(O)CCC1(C)C
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(CCC2(C)C)O)C)/C)/C

Synonyms

  • 4-hydroxy-beta,beta-carotene
  • beta,beta-caroten-4-ol
  • all-trans-Isocryptoxanthin
  • beta-caroten-4-ol
  • 4-hydroxy-beta-carotene
  • 4-hydroxy-all-trans-beta-carotene

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
552.89 g/molcalc.
Exact mass
552.4331 Dacalc.
LogP (octanol/water)
11.58calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
10calc.
Heavy atoms
41calc.
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.

Isocryptoxanthin suppliers

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Isocryptoxanthin 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 Isocryptoxanthin is traded under.

HS 2906.19Indicative HS code

Cyclanic, cyclenic or cycloterpenic, other

World exports in 2024
$613M
+18.7% vs 2023, imports $606M
2019 to 2024
Top exporters
  1. China34.2%
  2. India * partner reported10.1%
  3. Germany9.5%
Top importers
  1. United States19.8%
  2. Germany9.0%
  3. India * partner reported8.4%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Isocryptoxanthin, based on the data on this page

What is Isocryptoxanthin?

4-hydroxy-all-trans-beta-carotene is a beta-carotene carrying one additional hydroxy substituent at position 4. It is functionally related to a beta-carotene.

What is the CAS number of Isocryptoxanthin?

The CAS registry number of Isocryptoxanthin is 472-62-8.

What is the molecular formula and weight of Isocryptoxanthin?

The molecular formula of Isocryptoxanthin is C40H56O and its molar mass is 552.89 g/mol.

What is Isocryptoxanthin used for?

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

Is Isocryptoxanthin hazardous?

No GHS hazard classification for Isocryptoxanthin 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 Isocryptoxanthin?

Isocryptoxanthin is usually classified under HS code 290619 (Cyclanic, cyclenic or cycloterpenic, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isocryptoxanthin?

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

What is the price of Isocryptoxanthin?

Suppliers quote Isocryptoxanthin 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 Isocryptoxanthin

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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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