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Aldehydes and ketones

Phellandral, (S)-

Also known as l-Phellandral, (-)-Phellandral, 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-, (4S)-

CAS 23963-70-4Formula C10H16OMolar mass 152.24 g/mol
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Phellandral, (S)- chemical structure, C10H16O, CAS 23963-70-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
23963-70-4
Formula
C10H16O
Molar mass
152.24 g/mol
HS code
291229
Category
Aldehydes and ketones

What is Phellandral, (S)-?

Plain description, key identifiers and synonyms

(S)-phellandral has been reported in Oenanthe aquatica, Eucalyptus polybractea, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S)-4-propan-2-ylcyclohexene-1-carbaldehyde
CAS number
23963-70-4
Molecular formula
C10H16O
UNII
SY7FR6623K
InChIKey
AEVLWICMAHGAMS-SNVBAGLBSA-N
InChI
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7-8,10H,4-6H2,1-2H3/t10-/m1/s1
Canonical SMILES
CC(C)C1CC=C(C=O)CC1
Isomeric SMILES
CC(C)[C@H]1CCC(=CC1)C=O

Synonyms

  • l-Phellandral
  • (-)-Phellandral
  • 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-, (4S)-
  • (4S)-4-propan-2-ylcyclohexene-1-carbaldehyde
  • (S)-(-)-Phellandral

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
152.24 g/molcalc.
Exact mass
152.1201 Dacalc.
LogP (octanol/water)
2.57calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
2calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.7calc.
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, 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.

Phellandral, (S)- suppliers

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Phellandral, (S)- price

Indicative price range per kg from live supplier offers

No published prices right now

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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 Phellandral, (S)- is traded under.

HS 2912.29Indicative HS code

Cyclic aldehydes without other oxygen function, other

World exports in 2024
$435M
+19.0% vs 2023, imports $484M
2019 to 2024
Top exporters
  1. China19.5%
  2. Japan17.4%
  3. India * partner reported13.0%
Top importers
  1. United States22.5%
  2. China9.2%
  3. Singapore8.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Phellandral, (S)-, based on the data on this page

What is Phellandral, (S)-?

(S)-phellandral has been reported in Oenanthe aquatica, Eucalyptus polybractea, and other organisms.

What is the CAS number of Phellandral, (S)-?

The CAS registry number of Phellandral, (S)- is 23963-70-4.

What is the molecular formula and weight of Phellandral, (S)-?

The molecular formula of Phellandral, (S)- is C10H16O and its molar mass is 152.24 g/mol.

What is Phellandral, (S)- used for?

Known uses and roles of Phellandral, (S)- include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Phellandral, (S)- hazardous?

No GHS hazard classification for Phellandral, (S)- 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 Phellandral, (S)-?

Phellandral, (S)- is usually classified under HS code 291229 (Cyclic aldehydes without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phellandral, (S)-?

Post a free request on CompoundList and suppliers of Phellandral, (S)- will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Phellandral, (S)-?

Suppliers quote Phellandral, (S)- 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 Phellandral, (S)-

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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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