CompoundList
Asarone chemical structure, C12H16O3, CAS 2883-98-9
2D chemical structure

Key facts

What buyers check first

Appearance
Monoclinic needles from water
Melting point
62 to 63
Boiling point
296 °C
Solubility
Practically insol in water, sol in alcohol, ether, glacial acetic acid, carbon tetrachlo…
HS code
290930
Category
Phenols, vanillin and sweet notes
Illustrative photo, closed jumbo bulk bags in a warehouse in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Asarone?

Plain description, key identifiers and synonyms

Alpha-asarone is the trans-isomer of asarone. It has a role as an anticonvulsant and a GABA modulator.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
CAS number
2883-98-9 CAS number cross-checkedOther or deprecated CAS: 494-40-6
EC numbers
207-788-7, 220-743-6
Molecular formula
C12H16O3
UNII
DQY9PNE5FK
MDL number
MFCD00064457
InChIKey
RKFAZBXYICVSKP-AATRIKPKSA-N
InChI
InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+
Canonical SMILES
CC=Cc1cc(OC)c(OC)cc1OC
Isomeric SMILES
C/C=C/C1=CC(=C(C=C1OC)OC)OC

Synonyms

  • alpha-Asarone
  • trans-Asarone
  • Asaron
  • trans-Isoasaron
  • Asarum camphor
  • (E)-Asarone
  • Etherophenol
  • Asarabacca camphor
  • 1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene
  • 2,4,5-Trimethoxy-1-propenylbenzene
  • 1,2,4-trimethoxy-5-[(1E)-prop-1-en-1-yl]benzene
  • benzene, 1,2,4-trimethoxy-5-(1E)-1-propen-1-yl-
  • Benzene, 1,2,4-trimethoxy-5-propenyl-, (E)-
  • Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (E)-
  • (E)-1,2,4-Trimethoxy-5-(1-propenyl)benzene
  • Benzene, 1,2,4-trimethoxy-5-propenyl-, trans-
  • 1,2,4-trimethoxy-5-((E)-prop-1-enyl)benzene
  • 1,2,4-trimethoxy-5-((1E)-prop-1-en-1-yl)benzene
  • asarone, (E)-
  • asarone, (Z)-
  • trans-Isoasarone
  • a-Asarone
  • Isoasaron
  • (E)-1,2,4-Trimethoxy-5-(prop-1-en-1-yl)benzene
  • ZE-Asarone
Show all 36 synonyms
  • 1,2,4-Trimethoxy-5-propenylbenzene
  • (E)-1,2,4-Trimethoxy-5-prop-1-enylbenzene
  • Benzene, 1,2,4-trimethoxy-5-(1E)-1-propenyl-
  • trans-a-Asarone
  • 2,5-Trimethoxy-1-propenylbenzene
  • (E)-2,4,5-Trimethoxypropenylbenzene
  • 1,2,4-trimethoxy-5-propenyl-benzene
  • Benzene, 1,2,4-trimethoxy-5-propenyl-
  • Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-
  • trans-1,2,4-Trimethoxy-5-(1-propenyl)benzene
  • 1,2,4-Trimethoxy-5-[(1E)-1-propenyl]benzene

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
Monoclinic needles from waterexp.
Melting point
62 to 63exp.
Boiling point
296 °Cexp.
Solubility
Practically insol in water, sol in alcohol, ether, glacial acetic acid, carbon tetrachloride, chloroform, petroleum etherexp.

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
208.26 g/molcalc.
Exact mass
208.1099 Dacalc.
LogP (octanol/water)
2.75calc.
Topological polar surface area
27.69 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
15calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • 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

Asarone suppliers

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

All 27 suppliers
27 of 27 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

27 suppliers in 8 countries

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Asarone 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

Grain fumigant, insect chemisterilant (isomer not specified).

Essential oil ... Calamus oil is used in perfumery for spicy-herbaceous notes: small quantities are also employed in the alcoholic beverage industry. However, use is legally restricted because of the potential toxicity of beta-asarone. (cis-asarone).

Tranquilizer ... chemisterilant for insects (asarone, i.e. 2,4,5-trimethoxy-1-propenylbenzene)).

Pharmacological actions

  • Carcinogens
  • Fibrinolytic Agents

Roles

  • GABA agent
  • GABA modulator
  • anticonvulsant
  • biophysical role
  • central nervous system depressant
  • central nervous system drug
  • membrane transport modulator
  • neurotransmitter agent
  • pharmaceutical

How it is made

Seshadri, thiruvengadam, proc indian acad sci 32a, 110 (1950), sharma, dandiya, indian j appl chem 32, 236 (1969).

Either extracted from calamus oil or synthesized (Wittig reaction).

Calamus oil is obtained by steam distillation of fresh or unpeeled, dried roots of Acorus calamus L. (Araceae) ... The plant occurs in polyploid varieties and the corresponding essential oils differ predominantly in their content of beta-asarone (cis-isoasarone, 5273-86-9) (cis-asarone)

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 Asarone is traded under.

HS 2909.30Indicative HS code

Aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives

World exports in 2024
$470M
−2.2% vs 2023, imports $432M
2019 to 2024
Top exporters
  1. China45.7%
  2. Germany15.7%
  3. India * partner reported9.9%
Top importers
  1. United States14.3%
  2. China11.8%
  3. India * partner reported8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Asarone?

Alpha-asarone is the trans-isomer of asarone. It has a role as an anticonvulsant and a GABA modulator.

What is the CAS number of Asarone?

The CAS registry number of Asarone is 2883-98-9. Other or deprecated CAS numbers: 494-40-6.

What is the molecular formula and weight of Asarone?

The molecular formula of Asarone is C12H16O3 and its molar mass is 208.26 g/mol.

What is Asarone used for?

Grain fumigant, insect chemisterilant (isomer not specified). Essential oil ... Calamus oil is used in perfumery for spicy-herbaceous notes: small quantities are also employed in the alcoholic beverage industry. However, use is legally restricted because of the potential toxicity of beta-asarone. (cis-asarone).

Is Asarone hazardous?

Asarone carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Asarone?

Asarone is usually classified under HS code 290930 (Aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Asarone?

CompoundList lists 27 suppliers of Asarone in China, United States, Australia, Germany and 4 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Asarone?

Suppliers quote Asarone 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 Asarone

Get quotes for Asarone

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
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 Asarone with a 3D view, its CAS number and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/asarone-2883-98-9" title="Asarone 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 Phenols, vanillin and sweet notes or HS code 290930

27 suppliers
Free quotes, contact stays private
Get quotes