CompoundList
Sign in
Aldehydes and ketones

Phellandral

Also known as p-menth-1-en-7-al, 4-Isopropylcyclohexenecarbaldehyde, 4-propan-2-ylcyclohexene-1-carbaldehyde

CAS 21391-98-0Formula C10H16OMolar mass 152.24 g/molEC 244-355-1
GHS signal word: Warning. Pictograms: Harmful or irritant
Get quotes Safety data
Phellandral chemical structure, C10H16O, CAS 21391-98-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
21391-98-0
Formula
C10H16O
Molar mass
152.24 g/mol
EC number
244-355-1
HS code
291229
Category
Aldehydes and ketones

What is Phellandral?

Plain description, key identifiers and synonyms

Phellandral is a p-menthane monoterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-propan-2-ylcyclohexene-1-carbaldehyde
CAS number
21391-98-0 CAS number cross-checked
EC number
244-355-1
Molecular formula
C10H16O
UNII
O55U5SW7ZR
InChIKey
AEVLWICMAHGAMS-UHFFFAOYSA-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
SMILES (canonical and isomeric)
CC(C)C1CCC(=CC1)C=O

Synonyms

  • p-menth-1-en-7-al
  • 4-Isopropylcyclohexenecarbaldehyde
  • 4-propan-2-ylcyclohexene-1-carbaldehyde
  • 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-
  • 4-(1-Methylethyl)-1-cyclohexene-1-carboxaldehyde
  • 4-Propan-2-ylcyclohexene-1-carboxaldehyde
  • 4-[1-Methylethyl]-1-cyclohexene-1-carboxaldehyde
  • 4-(propan-2-yl)cyclohex-1-ene-1-carbaldehyde
  • (S)-Phellandral
  • 4-Isopropyl-1-cyclohexene-1-carbaldehyde
  • 4-Isopropylcyclohex-1-ene-1-carbaldehyde

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

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H227Combustible liquid.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403Store in a well-ventilated place.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Phellandral suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Phellandral can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Phellandral price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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

Frequently asked questions

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

What is Phellandral?

Phellandral is a p-menthane monoterpenoid.

What is the CAS number of Phellandral?

The CAS registry number of Phellandral is 21391-98-0.

What is the molecular formula and weight of Phellandral?

The molecular formula of Phellandral is C10H16O and its molar mass is 152.24 g/mol.

What is Phellandral used for?

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

Is Phellandral hazardous?

Phellandral carries the GHS signal word "Warning". Main hazards: combustible liquid, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Phellandral?

Phellandral 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?

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

What is the price of Phellandral?

Suppliers quote Phellandral 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

Get quotes for Phellandral

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Phellandral
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Phellandral with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/phellandral-21391-98-0" title="Phellandral structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Aldehydes and ketones or HS code 291229

Price on request
Free quotes, contact stays private
Get quotes