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Plant growth regulators

Xanthoxin

Also known as 2-cis,4-trans-Xanthoxin, (2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3-methylpenta-2,4-dienal, (2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methylpenta-2,4-dienal

CAS 8066-07-7Formula C15H22O3Molar mass 250.34 g/molEC 232-513-2
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Xanthoxin chemical structure, C15H22O3, CAS 8066-07-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
8066-07-7
Formula
C15H22O3
Molar mass
250.34 g/mol
EC number
232-513-2
HS code
291249
Category
Plant growth regulators

What is Xanthoxin?

Plain description, key identifiers and synonyms

2-cis,4-trans-xanthoxin is an apo carotenoid sesquiterpenoid and an enal. It has a role as a plant growth retardant and a plant metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3-methylpenta-2,4-dienal
CAS number
8066-07-7
EC number
232-513-2
Molecular formula
C15H22O3
InChIKey
ZTALKMXOHWQNIA-TVBSHJCBSA-N
InChI
InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6-/t12-,14+,15-/m0/s1
Canonical SMILES
CC(C=CC12OC1(C)CC(O)CC2(C)C)=CC=O
Isomeric SMILES
C/C(=C/C=O)/C=C/[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C

Synonyms

  • 2-cis,4-trans-Xanthoxin
  • (2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3-methylpenta-2,4-dienal
  • (2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methylpenta-2,4-dienal
  • (2Z,4E)-5-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-3-methylpenta-2,4-dienal
  • (2Z,4E)-5-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo(4.1.0)heptan-1-yl)-3-methylpenta-2,4-dienal
  • trans,trans-5-(1',2'-Epoxy-4'-hydroxy-2',6',6'-trimethyl-1'-cyclohexyl)-3-methylpentadienal
  • (1S-(1alpha(2Z,4E),4alpha,6alpha))-5-(4-Hydroxy-2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)-3-methylpenta-2,4-dienal
  • [1s-[1Alpha(2Z,4E),4alpha,6alpha]]-5-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-methylpenta-2,4-dienal
  • 2,4-Pentadienal, 5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methyl-, (2Z,4E)-

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
250.34 g/molcalc.
Exact mass
250.1569 Dacalc.
LogP (octanol/water)
2.4calc.
Topological polar surface area
49.83 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
3calc.
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, C1CCC2OC2C1

C1CCC2OC2C1

2 rings, 7 atoms, the Cyclohexene oxide ring system.

314 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.

Xanthoxin suppliers

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Xanthoxin 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
  • growth regulator
  • metabolite
  • plant growth regulator
  • plant growth retardant
  • 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 Xanthoxin is traded under.

HS 2912.49Indicative HS code

Aldehyde-alcohols, aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen…

World exports in 2024
$159M
−9.6% vs 2023, imports $171M
2019 to 2024
Top exporters
  1. China36.7%
  2. India * partner reported27.5%
  3. Germany13.9%
Top importers
  1. China16.0%
  2. United States15.7%
  3. India * partner reported9.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Xanthoxin?

2-cis,4-trans-xanthoxin is an apo carotenoid sesquiterpenoid and an enal. It has a role as a plant growth retardant and a plant metabolite.

What is the CAS number of Xanthoxin?

The CAS registry number of Xanthoxin is 8066-07-7.

What is the molecular formula and weight of Xanthoxin?

The molecular formula of Xanthoxin is C15H22O3 and its molar mass is 250.34 g/mol.

What is Xanthoxin used for?

Known uses and roles of Xanthoxin include plant growth regulators in agriculture and crop protection, eukaryotic metabolite, growth regulator, metabolite, plant growth regulator and 2 more.

Is Xanthoxin hazardous?

No GHS hazard classification for Xanthoxin 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 Xanthoxin?

Xanthoxin is usually classified under HS code 291249 (Aldehyde-alcohols, aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Xanthoxin?

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

What is the price of Xanthoxin?

Suppliers quote Xanthoxin 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 Xanthoxin

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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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