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Aliphatic and alicyclic building blocks

Dehydrovomifoliol

Also known as (4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one, (4S)-4-hydroxy-3,5,5-trimethyl-4-((E)-3-oxobut-1-enyl)cyclohex-2-en-1-one, (+)-Dehydrovomifoliol

CAS 39763-33-2Formula C13H18O3Molar mass 222.28 g/mol
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Dehydrovomifoliol chemical structure, C13H18O3, CAS 39763-33-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
39763-33-2
Formula
C13H18O3
Molar mass
222.28 g/mol
HS code
291440
Category
Aliphatic and alicyclic building blocks

What is Dehydrovomifoliol?

Plain description, key identifiers and synonyms

(6S)-dehydrovomifoliol is a dehydrovomifoliol that has S-configuration at the chiral centre. It has a role as a plant metabolite. It is an enantiomer of a (6R)-dehydrovomifoliol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
CAS number
39763-33-2Other or deprecated CAS: 15764-81-5, 7070-24-8
Molecular formula
C13H18O3
UNII
3J9E6P8K84
InChIKey
JJRYPZMXNLLZFH-URWSZGRFSA-N
InChI
InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1
Canonical SMILES
CC(=O)C=CC1(O)C(C)=CC(=O)CC1(C)C
Isomeric SMILES
CC1=CC(=O)CC([C@]1(/C=C/C(=O)C)O)(C)C

Synonyms

  • (4S)-4-hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
  • (4S)-4-hydroxy-3,5,5-trimethyl-4-((E)-3-oxobut-1-enyl)cyclohex-2-en-1-one
  • (+)-Dehydrovomifoliol
  • (6S)-dehydrovomifoliol
  • (+)-(S)-Dehydrovomifoliol
  • Dehydrovomifoliol, (S)-
  • Dehydrovomifoliol, (+)-
  • (6S)-6-hydroxy-3-oxo-alpha-ionone
  • (S)-(+)-Dehydrovomifoliol
  • (4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one
  • (4S)-4-Hydroxy-3,5,5-trimethyl-4-((1E)-3-oxo-1-buten-1-yl)-2-cyclohexen-1-one
  • 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-, (S-(E))-
  • (S,E)-4-Hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-en-1-yl)cyclohex-2-enone
  • (4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
  • (S)-Dehydrovomifoliol
  • (6R)-6-hydroxy-3-oxo-alpha-ionone
  • 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-, [S-(E)]-
  • S-(+)-dehydrovomifoliol
  • (4S)-4-hydroxy-3,5,5-trimethyl-4-[(Z)-3-oxobut-1-enyl]cyclohex-2-en-1-one
  • (4S)-4-Hydroxy-3,5,5-trimethyl-4-[3-oxobut-1-en-1-yl]cyclohex-2-en-1-one
  • 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-, (4S)-
  • 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]-, (4S)-
  • (4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-enyl]cyclohex-2-en-1-one, (6S)-6-hydroxy-3-oxo-alpha-ionone, Dehydrovomifoliol

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
222.28 g/molcalc.
Exact mass
222.1256 Dacalc.
LogP (octanol/water)
1.81calc.
Topological polar surface area
54.37 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
16calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.54calc.
Formal charge
0calc.
Stereocentres
1calc.
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, O=C1C=CCCC1

O=C1C=CCCC1

1 ring, 7 atoms, the 2-Cyclohexen-1-one ring system.

1,362 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.

Dehydrovomifoliol suppliers

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Dehydrovomifoliol 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

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

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 Dehydrovomifoliol 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 Dehydrovomifoliol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Dehydrovomifoliol?

(6S)-dehydrovomifoliol is a dehydrovomifoliol that has S-configuration at the chiral centre. It has a role as a plant metabolite. It is an enantiomer of a (6R)-dehydrovomifoliol.

What is the CAS number of Dehydrovomifoliol?

The CAS registry number of Dehydrovomifoliol is 39763-33-2. Other or deprecated CAS numbers: 15764-81-5, 7070-24-8.

What is the molecular formula and weight of Dehydrovomifoliol?

The molecular formula of Dehydrovomifoliol is C13H18O3 and its molar mass is 222.28 g/mol.

What is Dehydrovomifoliol used for?

Known uses and roles of Dehydrovomifoliol include building blocks in research and laboratory, screening compounds in research and laboratory, eukaryotic metabolite, metabolite and plant metabolite.

Is Dehydrovomifoliol hazardous?

No GHS hazard classification for Dehydrovomifoliol 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 Dehydrovomifoliol?

Dehydrovomifoliol 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 Dehydrovomifoliol?

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

What is the price of Dehydrovomifoliol?

Suppliers quote Dehydrovomifoliol 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 Dehydrovomifoliol

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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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