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alpha-PHELLANDRENE chemical structure, C10H16, CAS 99-83-2
2D chemical structure

Key facts

What buyers check first

CAS number
99-83-2
Formula
C10H16
Appearance
Colorless oil
Solubility
PRACTICALLY INSOL IN WATER, SOL IN ETHER /D- & L-FORMS/
HS code
290219
Category
Synthetic aroma chemicals
Illustrative photo, 25 litre white jerry cans of liquid in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is alpha-PHELLANDRENE?

Plain description, key identifiers and synonyms

Alpha-phellandrene is one of a pair of phellandrene cyclic monoterpene double-bond isomers in which both double bonds are endocyclic (cf. alpha-phellandrene, where one of them is exocyclic). It has a role as a volatile oil component, an antimicrobial agent and a plant metabolite. It is a cyclohexadiene and a phellandrene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-methyl-5-propan-2-ylcyclohexa-1,3-diene
CAS number
99-83-2 CAS number cross-checked
EC number
202-792-5
Molecular formula
C10H16
UNII
49JV13XE39
MDL number
MFCD00040419
INCI name
ALPHA-PHELLANDRENE
InChIKey
OGLDWXZKYODSOB-UHFFFAOYSA-N
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
SMILES (canonical and isomeric)
CC1=CCC(C=C1)C(C)C

Synonyms

  • p-Mentha-1,5-diene
  • Menthadiene
  • alpha-Fellandrene
  • Dihydro-p-cymene
  • alpha Phellandrene
  • 5-Isopropyl-2-methyl-1,3-cyclohexadiene
  • 4-Isopropyl-1-methyl-1,5-cyclohexadiene
  • Phellandrene, alpha-
  • 1-Isopropyl-4-methyl-2,4-cyclohexadiene
  • 1-Methyl-4-isopropyl-1,5-cyclohexadiene
  • 2-Methyl-5-isopropyl-1,3-cyclohexadiene
  • 5-isopropyl-2-methylcyclohexa-1,3-diene
  • 2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene
  • alpha-Phellandrene (natural)
  • 2-methyl-5-(propan-2-yl)cyclohexa-1,3-diene
  • alpha-Phellandren
  • (-)-2-Methyl-5-(1-methylethyl)-1,3-cyclohexadiene
  • 3-05-00-00342 (Beilstein Handbook Reference)
  • (+-)-alpha-Phellandrene
  • rho-MENTHA-1,5-DIENE
  • 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-
  • a-phellandrene
  • 2-methyl-5-propan-2-ylcyclohexa-1,3-diene
  • 1-phellandrene
  • (-)-5-Isopropyl-2-methyl-1,3-cyclohexadiene
Show all 35 synonyms
  • 5-isopropyl-2-methyl-cyclohexa-1,3-diene
  • a-Phellandrene (Technical Grade)
  • alpha-Phellandrene, stabilized
  • Phellandrene
  • ?-Phellandrene
  • (-)-a-Phellandrene
  • cent-Phellandrene
  • 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-, (R)-
  • Phellandrene,alpha
  • (+/-)-alpha-Phellandrene

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

Appearance
Colorless oilexp.
Solubility
PRACTICALLY INSOL IN WATER, SOL IN ETHER /D- & L-FORMS/exp.

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
136.24 g/molcalc.
Exact mass
136.1252 Dacalc.
LogP (octanol/water)
3.16calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
1calc.
Heavy atoms
10calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.6calc.
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=CCCC=C1

C1=CCCC=C1

1 ring, 6 atoms, the 1,3-Cyclohexadiene ring system.

493 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS02: Flammable
Flammable
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H226Flammable liquid and vapour.
  • H304May be fatal if swallowed and enters airways.
Precautionary statements (14)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P331Do not induce vomiting.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • 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

alpha-PHELLANDRENE suppliers

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All 15 suppliers
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Where suppliers are based

15 suppliers in 7 countries

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alpha-PHELLANDRENE 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.

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Uses and applications

What the substance is used for, by industry and function

Flavoring, perfumery.

Chem intermediate.

Industrial uses: Fragrance.

Cosmetic ingredient, INCI name ALPHA-PHELLANDRENE(perfuming)

Roles

  • antimicrobial agent
  • eukaryotic metabolite
  • metabolite
  • plant metabolite
  • volatile oil component

Functional uses

  • Flavouring and nutrient
  • Fragrance

Cosmetic functions

  • Perfuming

How it is made

Isolation of l-form from essential oils of eucalyptus dives schau & e phellandra baker & smith, myrtaceae: smith et al, j chem soc 123, 1657 (1923). Isolation of d-form from oil of bitter fennel (foeniculum vulgare mill, umbelliferae): wallach, ann 336, 9 (1904).

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code alpha-PHELLANDRENE is traded under.

HS 2902.19Indicative HS code

Cyclanes, cyclenes and cycloterpenes, other

World exports in 2024
$979M
+24.3% vs 2023, imports $1B
2019 to 2024
Top exporters
  1. China23.4%
  2. United States20.6%
  3. Germany13.6%
Top importers
  1. India * partner reported9.9%
  2. United States9.8%
  3. South Korea9.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about alpha-PHELLANDRENE, based on the data on this page

What is alpha-PHELLANDRENE?

Alpha-phellandrene is one of a pair of phellandrene cyclic monoterpene double-bond isomers in which both double bonds are endocyclic (cf. alpha-phellandrene, where one of them is exocyclic). It has a role as a volatile oil component, an antimicrobial agent and a plant metabolite.

What is the CAS number of alpha-PHELLANDRENE?

The CAS registry number of alpha-PHELLANDRENE is 99-83-2.

What is the molecular formula and weight of alpha-PHELLANDRENE?

The molecular formula of alpha-PHELLANDRENE is C10H16 and its molar mass is 136.24 g/mol.

What is alpha-PHELLANDRENE used for?

Flavoring, perfumery. Chem intermediate. Industrial uses: Fragrance.

Is alpha-PHELLANDRENE hazardous?

alpha-PHELLANDRENE carries the GHS signal word "Danger". Main hazards: flammable liquid and vapour, may be fatal if swallowed and enters airways. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of alpha-PHELLANDRENE?

alpha-PHELLANDRENE is usually classified under HS code 290219 (Cyclanes, cyclenes and cycloterpenes, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy alpha-PHELLANDRENE?

CompoundList lists 15 suppliers of alpha-PHELLANDRENE in China, United States, India, Egypt and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy alpha-PHELLANDRENE in India?

2 suppliers in India list alpha-PHELLANDRENE on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of alpha-PHELLANDRENE?

Suppliers quote alpha-PHELLANDRENE 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 alpha-PHELLANDRENE

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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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