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Aliphatic and alicyclic building blocks

3-Hydroxy-alpha-ionone

Also known as (3E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one, (E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one, 3-hydroxy-9-apo-delta-caroten-9-one

CAS 215871-68-4Formula C13H20O2Molar mass 208.30 g/mol
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3-Hydroxy-alpha-ionone chemical structure, C13H20O2, CAS 215871-68-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
215871-68-4
Formula
C13H20O2
Molar mass
208.30 g/mol
HS code
291440
Category
Aliphatic and alicyclic building blocks

What is 3-Hydroxy-alpha-ionone?

Plain description, key identifiers and synonyms

3-hydroxy-alpha-ionone is an apo carotenoid monoterpenoid that is alpha-ionone with a hydroxy substituent at position 3. It is a secondary alcohol, an apo carotenoid monoterpenoid, an enone and a methyl ketone. It is functionally related to an alpha-ionone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
CAS number
215871-68-4
Molecular formula
C13H20O2
InChIKey
FDSNVAKZRJLMJN-AATRIKPKSA-N
InChI
InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,11-12,15H,8H2,1-4H3/b6-5+
Canonical SMILES
CC(=O)C=CC1C(C)=CC(O)CC1(C)C
Isomeric SMILES
CC1=CC(CC(C1/C=C/C(=O)C)(C)C)O

Synonyms

  • (3E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
  • (E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
  • 3-hydroxy-9-apo-delta-caroten-9-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
208.30 g/molcalc.
Exact mass
208.1463 Dacalc.
LogP (octanol/water)
2.48calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
15calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.62calc.
Formal charge
0calc.
Stereocentres
2calc.
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=CCCCC1

C1=CCCCC1

1 ring, 6 atoms, the Cyclohexene ring system.

5,167 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.

3-Hydroxy-alpha-ionone suppliers

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3-Hydroxy-alpha-ionone 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 3-Hydroxy-alpha-ionone 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 3-Hydroxy-alpha-ionone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Hydroxy-alpha-ionone, based on the data on this page

What is 3-Hydroxy-alpha-ionone?

3-hydroxy-alpha-ionone is an apo carotenoid monoterpenoid that is alpha-ionone with a hydroxy substituent at position 3. It is a secondary alcohol, an apo carotenoid monoterpenoid, an enone and a methyl ketone. It is functionally related to an alpha-ionone.

What is the CAS number of 3-Hydroxy-alpha-ionone?

The CAS registry number of 3-Hydroxy-alpha-ionone is 215871-68-4.

What is the molecular formula and weight of 3-Hydroxy-alpha-ionone?

The molecular formula of 3-Hydroxy-alpha-ionone is C13H20O2 and its molar mass is 208.30 g/mol.

What is 3-Hydroxy-alpha-ionone used for?

Known uses and roles of 3-Hydroxy-alpha-ionone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3-Hydroxy-alpha-ionone hazardous?

No GHS hazard classification for 3-Hydroxy-alpha-ionone 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 3-Hydroxy-alpha-ionone?

3-Hydroxy-alpha-ionone 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 3-Hydroxy-alpha-ionone?

Post a free request on CompoundList and suppliers of 3-Hydroxy-alpha-ionone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Hydroxy-alpha-ionone?

Suppliers quote 3-Hydroxy-alpha-ionone 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 3-Hydroxy-alpha-ionone

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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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