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Safrole

Also known as Safrol, Shikimole, Shikomol

CAS 94-59-7Formula C10H10O2Molar mass 162.19 g/molEC 202-345-4
GHS signal word: Danger. Pictograms: Harmful or irritant, Serious health hazard Controlled, licensed buyers only
Request as a licensed buyer Safety data
Safrole chemical structure, C10H10O2, CAS 94-59-7
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Colorless or pale yellow oil
Melting point
11.2 °C
Boiling point
235 °C
Density
1.100 g/cm³ at 20 °C
Flash point
100 °C
HS code
293294
Category
Flavor ingredients
UN number
UN 3082

What is Safrole?

Plain description, key identifiers and synonyms

Safrole is a member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive. It has a role as an insecticide, a metabolite, a flavouring agent and a plant metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-prop-2-enyl-1,3-benzodioxole
CAS number
94-59-7 CAS number cross-checked
EC numbers
202-345-4, 616-892-5
Molecular formula
C10H10O2
UNII
RSB34337V9
INCI name
SASSAFRAS OFFICINALE ROOT OIL
InChIKey
ZMQAAUBTXCXRIC-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
SMILES (canonical and isomeric)
C=CCC1=CC2=C(C=C1)OCO2

Synonyms

  • Safrol
  • Shikimole
  • Shikomol
  • 5-Allyl-1,3-benzodioxole
  • Safrole MF
  • Safrene
  • 1,3-Benzodioxole, 5-(2-propenyl)-
  • Allylcatechol methylene ether
  • Shikimol
  • 5-(2-Propenyl)-1,3-benzodioxole
  • m-Allylpyrocatechin methylene ether
  • 4-Allyl-1,2-methylenedioxybenzene
  • 4-Allylpyrocatechol formaldehyde acetal
  • Allylpyrocatechol methylene ether
  • 3,4-(Methylenedioxy)allylbenzene
  • 5-prop-2-enyl-1,3-benzodioxole
  • 1-Allyl-3,4-methylenedioxybenzene
  • Benzene, 4-allyl-1,2-(methylenedioxy)-
  • Allyldioxybenzene methylene ether
  • 1,2-Methylenedioxy-4-allylbenzene
  • 1,3-Benzodioxole, 5-allyl-
  • 5-(prop-2-en-1-yl)-2H-1,3-benzodioxole
  • 3,4-methylenedioxy-allylbenzene
  • 3-(3,4-Methylenedioxyphenyl)prop-1-ene
  • 1,2-methylenedioxy-4-allyl-Benzene
Show all 38 synonyms
  • Safroles
  • Safrols
  • Shikimols
  • 4 Allyl 1,2 methylenedioxybenzene
  • 4-Allyl-1,2-methylenedioxybenzenes
  • Sassafras
  • RCRA waste number U203
  • Benzene, 1,2-methylenedioxy-4-allyl-
  • (Allyldioxy)benzene methylene ether
  • 1-Allyl-3,4-(methylenedioxy)benzene
  • 4-Allyl-1,2-(methylenedioxy)benzene
  • (1,2-(Methylenedioxy)-4-allyl)benzene
  • 1,3-Benzodioxole, 5-(2-propen-1-yl)-

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 or pale yellow oilexp.
Odour
Sassafras odorexp.
Melting point
11.2 °Cexp.
Boiling point
235 °Cexp.
Density
1.100 g/cm³ at 20 °Cexp.
Flash point
100 °Cexp.
Solubility
Insoluble in waterexp.
Vapour pressure
Vapor pressure range 1-760 mm Hg in the temperature range 63.8-233.0 °Cexp.

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
162.19 g/molcalc.
Exact mass
162.0681 Dacalc.
LogP (octanol/water)
2.14calc.
Topological polar surface area
18.46 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
12calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.2calc.
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, c1ccc2c(c1)OCO2

c1ccc2c(c1)OCO2

2 rings, 9 atoms, the 1,3-Benzodioxole ring system.

4,560 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard
110NFPA 704 rating

Hazard statements

  • H302Harmful if swallowed.
  • H341Suspected of causing genetic defects.
  • H350May cause cancer.
Precautionary statements (9)
  • P203Obtain, read and follow all safety instructions before use.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 3082

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

Safrole suppliers

Controlled substance, listings of documented suppliers only, in the documented ranking

Drug precursor

Safrole is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.

Licensed buyers only, every enquiry is reviewed by our compliance team.

Reference: UN Convention against Illicit Traffic 1988 Table I, India NDPS controlled substance, HS 2022 subheading 2932.94 (safrole)

Our policy on controlled substances
No documented supplier lists it yet

Licensed buyers can post a request for Safrole with their licence. Our compliance team reviews it before suppliers see it.

Request as a licensed buyer

Safrole 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

Use in food is prohibited.

In manufacture of piperonyl butoxide.

In perfumery, denaturing fats in soap manufacture, also in manufacture of heliotropin. Formerly as flavoring agent in foods, drugs, and beverages.

Cosmetic ingredient, INCI name SASSAFRAS OFFICINALE ROOT OIL(fragrance)

Roles

  • additive
  • eukaryotic metabolite
  • flavouring agent
  • food additive
  • food component
  • insecticide
  • metabolite
  • pesticide
  • physiological role
  • plant metabolite

Functional uses

  • Deodorizer
  • Flavouring and nutrient
  • Fragrance

Cosmetic functions

  • Fragrance

Pharmacology

Safrole is a naturally-occurring, colorless to slightly yellow liquid that is soluble in ethanol, ether, and chloroform. Safrole is no longer used in the United States. Minimal exposure to safrole may occur through the use of edible spices, including nutmeg and mace, which contain low levels of this compound. It is reasonably anticipated to be a human carcinogen. (NCI05)

How it is made

Derivation: From oil of sassafras or camphor oil.

By distillation from the essential oils rich in safrole, an uneconomical synthesis starts with catechol methylene ether reacted with allyl chloride, also 4-allyl alcohol with methylene iodide.

Regulatory status

Inventories, regulations and trade controls that list this substance

Drug precursor

Safrole is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.

Licensed buyers only, every enquiry is reviewed by our compliance team.

Reference: UN Convention against Illicit Traffic 1988 Table I, India NDPS controlled substance, HS 2022 subheading 2932.94 (safrole)

Our policy on controlled substances

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 605-020-00-9

Health and food

  • EU cosmetic ingredient inventory
  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Safrole, except for normal content in the natural essences used and provided that the concentration does not exceed: 100 ppm in the finished cosmetic pr…

Controls

  • US DEA controlled substance or listed chemical
  • Drug precursor (UN 1988 Convention)

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 Safrole is traded under.

HS 2932.94Exact HS code

Heterocyclic compounds: with oxygen hetero-atom(s) only, (other than lactones or compounds containing an…

World exports in 2024
$267K
+32.7% vs 2023, imports $268K
2019 to 2024
Top exporters
  1. China94.0%
  2. United States2.8%
  3. Switzerland * partner reported2.8%
Top importers
  1. India * partner reported93.6%
  2. Germany2.6%
  3. Sweden2.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Safrole is indicative (it was matched by name in the HS nomenclature). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Safrole?

Safrole is a member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras.

What is the CAS number of Safrole?

The CAS registry number of Safrole is 94-59-7.

What is the molecular formula and weight of Safrole?

The molecular formula of Safrole is C10H10O2 and its molar mass is 162.19 g/mol.

What is Safrole used for?

Use in food is prohibited. In manufacture of piperonyl butoxide. In perfumery, denaturing fats in soap manufacture, also in manufacture of heliotropin. Formerly as flavoring agent in foods, drugs, and beverages.

Is Safrole hazardous?

Safrole carries the GHS signal word "Danger". Main hazards: harmful if swallowed, suspected of causing genetic defects, may cause cancer. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Safrole?

Safrole is usually classified under HS code 293294 (Safrole). This is indicative, confirm it with your customs broker before shipping.

Can I buy Safrole on CompoundList?

Safrole is a controlled substance. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed by our compliance team before suppliers see it.

Guides for buyers

Practical guides that help when you source, ship or handle Safrole

Request as a licensed buyer

Upload your licence with the request. Our compliance team reviews it before the documented suppliers see it.
Request as a licensed buyer
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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