3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one

C17H14O5

CAS117-52-2
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
Danger

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Identification

CAS Number
117-52-2
EC Number
204-195-5
UN Number
3027
Index Number
607-058-00-1
PubChem CID
54689800

Physical-chemical properties

Molecular Formula
C17H14O5
Molar Mass
298.29 g/mol
IUPAC Name
3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one

Chemical Identifiers

InChI
InChI=1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3
InChI Key
JFIXKFSJCQNGEK-UHFFFAOYSA-N

Overview

3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one (CAS 117-52-2) is a complex organic compound featuring both furan and chromenone structural elements with significant biological activity. This sophisticated organic molecule belongs to the chromenone family and incorporates a furan ring system, making it structurally distinct from simpler aromatic compounds. With the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol, this compound exhibits unique chemical properties due to its hybrid structure combining coumarin and furan functionalities. The presence of both hydroxyl and ketone groups contributes to its reactivity profile and potential applications in various chemical processes. The compound is classified under multiple hazard categories, requiring careful handling protocols. It carries an Acute Toxicity Category 3 classification and is designated as a Specific Target Organ Toxicity Repeat Exposure Category 1 substance, necessitating appropriate safety measures during storage, handling, and transportation. The ADR Class 6.1 classification reflects its toxic nature, while the GHS06 and GHS08 pictograms emphasize the need for proper personal protective equipment and ventilation systems. Industrial applications typically involve its use as an intermediate in organic synthesis, particularly in pharmaceutical and agrochemical manufacturing. The compound's unique structural features make it valuable for developing specialized chemical products where both furan and chromenone moieties are required. Unlike simpler aromatic compounds such as chloromethylbenzene or N-methylaniline, this molecule offers enhanced functionality due to its complex ring systems. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European industrial customers requiring high-quality organic intermediates.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; STOT RE 1; Aquatic Chronic 3

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H301

Toxic if swallowed.

H372

Causes damage to organs through prolonged or repeated exposure.

H412

Harmful to aquatic life with long lasting effects.

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

Toxic

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 Number3027
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameCoumafuryl (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one?

3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one is an organic compound with the molecular formula C17H14O5 and CAS number 117-52-2. This substance has a molecular weight of 298.29 g/mol and belongs to the chromen-2-one family, featuring both furan and hydroxycoumarin structural elements. It is classified as a hazardous chemical with acute toxicity properties and specific target organ toxicity concerns, requiring careful handling in industrial applications.

What are the physicochemical properties of 3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one?

3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one is a solid organic compound at room temperature with a molecular weight of 298.29 g/mol. The substance contains multiple functional groups including furan, ketone, and hydroxyl groups within its chromen-2-one backbone structure. Its complex aromatic structure influences its solubility characteristics and chemical reactivity. Specific physical properties such as melting point, boiling point, and exact solubility data should be confirmed through technical documentation.

What is 3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one used for?

3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one is primarily used in specialized chemical applications and research settings. The compound's unique chromen-2-one structure makes it valuable for synthetic chemistry processes and potentially as an intermediate in pharmaceutical or fine chemical manufacturing. Its specific applications depend on the furan and hydroxycoumarin functionalities present in its molecular structure. Industrial users should consult technical specifications for detailed application guidance and compatibility information.

How to handle 3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one safely?

3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one requires strict safety precautions due to its Acute Tox. 3 and STOT RE 1 classifications. Personnel must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. The GHS06 and GHS08 pictograms indicate both acute toxicity and serious health hazards, requiring comprehensive safety training before handling.

How to store 3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one correctly?

3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one must be stored in a secure, well-ventilated area away from incompatible materials and ignition sources. The substance should be kept in original, tightly sealed containers with appropriate labeling including GHS pictograms GHS06 and GHS08. Storage areas must be accessible only to trained personnel due to the acute toxicity classification. Temperature and humidity conditions should be controlled according to manufacturer specifications to maintain product stability and prevent degradation.

What to do in case of contact with 3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one?

Immediate action is required in case of contact with 3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one due to its acute toxicity classification. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. In case of eye contact, flush immediately with water and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for complete first aid procedures.

How to dispose of 3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one properly?

3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one must be disposed of as hazardous waste according to local and European regulations due to its toxic classification. The substance cannot be disposed of through regular waste streams and requires specialized hazardous waste treatment facilities. ADR Class 6.1 classification indicates specific transport requirements for waste disposal. Generators must use authorized waste disposal companies and maintain proper documentation. Container disposal must follow hazardous waste protocols to prevent environmental contamination.

How to transport 3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one?

3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one is classified under ADR Class 6.1 (toxic substances) with Packing Group II, indicating moderate toxicity requiring specific transport precautions. Packaging must meet UN specification requirements for Class 6.1 materials with appropriate marking and labeling including GHS pictograms. Transport vehicles must carry appropriate emergency equipment and documentation. Drivers require ADR certification for Class 6.1 substances, and shipments must comply with tunnel restriction codes and routing requirements under European transport regulations.

Is 3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one subject to special regulations?

3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification obligations. The substance is not currently identified as a Substance of Very High Concern (SVHC), but its Acute Tox. 3 and STOT RE 1 classifications require strict compliance with occupational exposure limits and workplace safety measures. Users must maintain safety data sheets, implement risk management measures, and ensure proper classification and labeling throughout the supply chain.

Where to buy 3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one in Europe?

3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this regulated substance to qualified industrial customers with proper documentation and safety data sheets. Due to the ADR Class 6.1 classification and toxic properties, purchases require compliance with regulatory requirements and appropriate handling capabilities. Contact OYSI directly for availability, technical specifications, and regulatory compliance documentation to ensure proper procurement of this hazardous chemical substance.

Data Sources

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