5-prop-2-enyl-1,3-benzodioxole

C10H10O2

CAS94-59-7
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
Danger

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Identification

CAS Number
94-59-7
EC Number
202-345-4
UN Number
3532
Index Number
605-020-00-9
PubChem CID
5144

Physical-chemical properties

Molecular Formula
C10H10O2
Molar Mass
162.18 g/mol
IUPAC Name
5-prop-2-enyl-1,3-benzodioxole

Chemical Identifiers

InChI
InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
InChI Key
ZMQAAUBTXCXRIC-UHFFFAOYSA-N

Overview

5-prop-2-enyl-1,3-benzodioxole (CAS 94-59-7) is an aromatic organic compound featuring a benzodioxole ring structure with an allyl substituent. This chemical compound, also known by its EC number 202-345-4, belongs to the benzodioxole family and exhibits a molecular formula of C10H10O2 with a molecular weight of 162.18 g/mol. The substance is characterized by its distinctive bicyclic structure consisting of a benzene ring fused with a dioxole moiety, combined with a prop-2-enyl (allyl) side chain that contributes to its chemical reactivity profile. From a safety perspective, 5-prop-2-enyl-1,3-benzodioxole requires careful handling due to its classification as Carcinogenic Category 1B and Mutagenic Category 2, along with Acute Toxicity Category 4. The substance carries the danger signal word and is associated with GHS08 and GHS07 pictograms, indicating serious health hazards. Transportation falls under ADR Class 4.1, classifying it as a flammable solid. These safety characteristics distinguish it from related compounds such as 4-nitrosophenol, which presents different toxicological profiles. Industrial applications of this benzodioxole derivative primarily include its use as a chemical intermediate in organic synthesis, particularly in the pharmaceutical and fragrance industries. The compound serves as a valuable building block for manufacturing more complex molecules, leveraging its reactive allyl group for various chemical transformations. Additionally, it finds application in specialty chemical production where its unique aromatic properties are utilized. Unlike simpler compounds such as trimethyl(oxiran-2-ylmethyl)azanium chloride, this benzodioxole requires specialized handling protocols and expertise. OYSI maintains availability of 5-prop-2-enyl-1,3-benzodioxole for qualified industrial customers across Europe, ensuring compliance with all relevant safety and regulatory requirements.

Safety & Classification

Danger
Classification:

Carc. 1B; Muta. 2; Acute Tox. 4 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H350

May cause cancer.

H341

Suspected of causing genetic defects.

H302

Harmful if swallowed.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3532
ADR Class4.1
Packing GroupIII
Tunnel CodeD
Proper Shipping Name5-Allyl-1,3-benzodioxol, stabilisiert
Marine PollutantNo

Frequently Asked Questions

What is 5-prop-2-enyl-1,3-benzodioxole?

5-prop-2-enyl-1,3-benzodioxole is an organic compound with the molecular formula C10H10O2 and CAS number 94-59-7. This chemical belongs to the benzodioxole family and features an allyl side chain attached to the benzene ring. With a molecular weight of 162.18 g/mol, it is classified as a hazardous substance due to its carcinogenic and mutagenic properties, requiring careful handling in industrial applications.

What are the physicochemical properties of 5-prop-2-enyl-1,3-benzodioxole?

5-prop-2-enyl-1,3-benzodioxole is typically a colorless to pale yellow liquid at room temperature with a characteristic sweet, spicy odor. The compound has moderate volatility and is sparingly soluble in water but readily dissolves in organic solvents such as ethanol, acetone, and benzene. Its benzodioxole structure contributes to its stability under normal conditions, though it may polymerize under certain circumstances.

What is 5-prop-2-enyl-1,3-benzodioxole used for?

5-prop-2-enyl-1,3-benzodioxole is primarily used as an intermediate in organic synthesis and as a flavoring agent in the food industry. It serves as a precursor for manufacturing various aromatic compounds and pharmaceuticals. In the fragrance industry, it is valued for its sweet, vanilla-like scent profile. However, due to its carcinogenic classification, its use in consumer products is increasingly restricted and regulated.

How to handle 5-prop-2-enyl-1,3-benzodioxole safely?

5-prop-2-enyl-1,3-benzodioxole requires strict safety measures due to its carcinogenic and mutagenic properties. Workers must wear appropriate personal protective equipment including nitrile gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation. Direct skin contact must be avoided, and emergency eyewash stations should be readily accessible during handling operations.

How to store 5-prop-2-enyl-1,3-benzodioxole correctly?

5-prop-2-enyl-1,3-benzodioxole should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. The storage area must be equipped with appropriate containment measures and restricted access due to its carcinogenic nature. Keep away from strong oxidizing agents and sources of ignition. Storage temperatures should remain below 25°C to prevent degradation and minimize vapor formation.

What to do in case of contact with 5-prop-2-enyl-1,3-benzodioxole?

Immediate action is required upon contact with 5-prop-2-enyl-1,3-benzodioxole. For skin contact, remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes while keeping eyelids open. If inhaled, move the person to fresh air immediately. Seek medical attention promptly in all cases of exposure due to the substance's toxic properties.

How to dispose of 5-prop-2-enyl-1,3-benzodioxole appropriately?

5-prop-2-enyl-1,3-benzodioxole must be disposed of as hazardous waste through licensed waste management facilities due to its carcinogenic classification. The substance cannot be disposed of in regular waste streams or sewerage systems. Disposal must comply with local and European waste regulations including the Waste Framework Directive. Small quantities may be incinerated at high temperatures in specialized facilities equipped with appropriate emission controls.

How to transport 5-prop-2-enyl-1,3-benzodioxole?

5-prop-2-enyl-1,3-benzodioxole is classified under ADR Class 4.1 (Flammable solids) Packing Group III for transportation purposes. It must be packaged in UN-approved containers with appropriate labeling including hazard pictogrammes GHS07 and GHS08. Transport documents must include the proper shipping name, UN number, and hazard class. Drivers require ADR certification, and vehicles must carry appropriate emergency equipment and placarding during transport.

Is 5-prop-2-enyl-1,3-benzodioxole subject to specific regulations?

5-prop-2-enyl-1,3-benzodioxole is subject to extensive European regulations including REACH registration requirements and CLP classification as Carcinogenic Category 1B and Mutagenic Category 2. Its use in food products is strictly regulated under EU food additives legislation. Companies handling this substance must implement risk management measures and provide safety data sheets. Occupational exposure limits may apply depending on national regulations within EU member states.

Where to buy 5-prop-2-enyl-1,3-benzodioxole in Europe?

5-prop-2-enyl-1,3-benzodioxole is available through specialized chemical distributors across Europe, including OYSI, which serves as a reliable supplier for industrial customers. Due to its hazardous classification, purchases typically require proper documentation, safety protocols, and may be subject to quantity restrictions. Professional buyers should ensure their suppliers provide complete safety documentation and comply with REACH regulations before procurement.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.