5-prop-2-enyl-1,3-benzodioxole
C10H10O2
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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 organic compound from the benzodioxole family with an allyl side chain and significant toxicological properties. This chemical compound, also known by its IUPAC name 5-prop-2-enyl-1,3-benzodioxole, represents a methylenedioxyphenyl derivative with the molecular formula C10H10O2 and a molecular weight of 162.18 g/mol. The structure features a benzene ring fused with a dioxole ring system and an allyl substituent, giving it distinctive chemical properties that make it valuable in various industrial applications. The substance is classified under EC number 202-345-4 and carries significant safety considerations due to its hazard classification as Carcinogenic Category 1B, Mutagenic Category 2, and Acute Toxicity Category 4. The compound requires careful handling protocols and displays GHS pictograms GHS08 and GHS07 with the signal word "Danger." For transportation purposes, it falls under ADR class 4.1, indicating its classification as a flammable solid. In industrial applications, 5-prop-2-enyl-1,3-benzodioxole serves primarily as an intermediate in organic synthesis and pharmaceutical manufacturing. It finds use in the production of specialized chemical compounds and serves as a building block for more complex molecular structures. The compound shares some application areas with other specialty chemicals such as trimethyl(oxiran-2-ylmethyl)azanium chloride, though each maintains distinct chemical properties and handling requirements. Due to its hazardous classification, proper safety equipment, ventilation systems, and trained personnel are essential when working with this material. OYSI maintains strict quality standards and regulatory compliance for this technical chemical, ensuring reliable supply for qualified industrial customers across European markets.
Safety & Classification
Carc. 1B; Muta. 2; Acute Tox. 4 *
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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 Number | 3532 |
| ADR Class | 4.1 |
| Packing Group | III |
| Tunnel Code | D |
| Proper Shipping Name | 5-Allyl-1,3-benzodioxol, stabilisiert |
| Marine Pollutant | No |
Frequently Asked Questions
What is 5-prop-2-enyl-1,3-benzodioxole?
5-prop-2-enyl-1,3-benzodioxole is an organic chemical compound with the molecular formula C10H10O2 and CAS number 94-59-7. This benzodioxole derivative has a molecular weight of 162.18 g/mol and contains an allyl group attached to the benzodioxole ring structure. 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 reminiscent of cloves or vanilla. The compound has a molecular weight of 162.18 g/mol and is moderately soluble in organic solvents but has limited water solubility. Its benzodioxole structure contributes to its aromatic properties and chemical reactivity.
What is 5-prop-2-enyl-1,3-benzodioxole used for?
5-prop-2-enyl-1,3-benzodioxole is primarily used in the fragrance and flavor industry as an intermediate for synthetic vanilla and spice flavoring compounds. It serves as a precursor in the synthesis of various aromatic chemicals and pharmaceutical intermediates. Due to its hazardous classification, its use is restricted and regulated, particularly in consumer products, with applications limited to industrial processes under controlled conditions.
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. Personnel must wear appropriate PPE including nitrile gloves, safety goggles, and respiratory protection in well-ventilated areas. Handle only in fume hoods or closed systems to minimize exposure. Avoid skin contact, inhalation, and ingestion. Regular health monitoring of workers is essential due to the substance's classification as Carc. 1B and Muta. 2.
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. Keep containers in a dedicated chemical storage area with appropriate secondary containment. Store away from strong oxidizing agents and incompatible materials. Maintain storage temperature below 25°C and ensure proper labeling with hazard warnings. Regular container inspection is necessary to prevent leaks.
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 due to its toxic properties. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical attention. For eye contact, flush with clean water for 15 minutes. In case of ingestion, do not induce vomiting and seek immediate medical care. Always consult emergency services for exposure incidents.
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 companies due to its carcinogenic and mutagenic properties. The substance cannot be disposed of in regular waste streams or sewage systems. Waste containers must be properly labeled and stored in designated areas until collection. Disposal must comply with local and European waste regulations, typically requiring high-temperature incineration at authorized facilities.
How to transport 5-prop-2-enyl-1,3-benzodioxole?
5-prop-2-enyl-1,3-benzodioxole is classified under ADR as Class 4.1 (Flammable solids), Packing Group III for transportation purposes. Packages must be properly labeled with appropriate hazard labels and comply with ADR packaging requirements. Transport documents must include the correct shipping name, UN number, and hazard class. Only authorized carriers with proper training and equipment should handle the transportation of this regulated substance across European borders.
Is 5-prop-2-enyl-1,3-benzodioxole subject to specific regulations?
5-prop-2-enyl-1,3-benzodioxole is subject to strict European regulations under REACH and CLP due to its hazardous classification as Carc. 1B and Muta. 2. The substance requires safety data sheets, hazard labeling with GHS08 and GHS07 pictograms, and the danger signal word. Its use may be restricted in consumer products and requires authorization for certain applications. Employers must implement occupational exposure limits and health surveillance programs for workers handling this substance.
Where to buy 5-prop-2-enyl-1,3-benzodioxole in Europe?
5-prop-2-enyl-1,3-benzodioxole is available through OYSI, a specialized European distributor of technical chemicals. As a regulated substance with strict handling requirements, it is only sold to qualified industrial customers with appropriate safety infrastructure and regulatory compliance. OYSI provides comprehensive documentation including safety data sheets, certificates of analysis, and regulatory guidance to ensure proper handling and compliance with European chemical regulations.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.