4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one

C19H16O3

CAS5836-29-3
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
5836-29-3
EC Number
227-424-0
UN Number
3027
Index Number
607-059-00-7
PubChem CID
54678504

Physical-chemical properties

Molecular Formula
C19H16O3
Molar Mass
292.30 g/mol
IUPAC Name
4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one

Chemical Identifiers

InChI
InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,20H,5,7,10H2
InChI Key
ULSLJYXHZDTLQK-UHFFFAOYSA-N

Overview

4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one (CAS 5836-29-3) is a complex organic compound featuring a chromen-2-one core structure with tetrahydronaphthalene substitution and hydroxyl functionality. This synthetic organic compound, with the molecular formula C19H16O3 and a molecular weight of 292.3 g/mol, belongs to the chromenone family of chemical intermediates. The EC number 227-424-0 identifies this substance within European chemical regulations, where it is classified under multiple hazard categories requiring careful handling protocols. The compound exhibits significant toxicological properties, as indicated by its classification as Reproductive toxicant category 1B, Acute toxicity categories 2 and 3, Specific target organ toxicity (repeated exposure) category 1, and Aquatic chronic toxicity category 1. These classifications necessitate the display of danger signal words and multiple GHS pictograms including GHS08 (health hazard), GHS06 (toxic), and GHS09 (environmental hazard). For transportation purposes, it falls under ADR class 6.1, designating it as a toxic substance. The complex bicyclic structure incorporating both aromatic and saturated ring systems provides unique chemical reactivity patterns, distinguishing it from simpler aromatic compounds like N-methylaniline. This structural complexity enables specific industrial applications in pharmaceutical intermediate synthesis, specialty chemical manufacturing, and research applications where precise molecular frameworks are required. In industrial settings, this compound serves primarily as an advanced chemical intermediate for pharmaceutical synthesis, a building block for specialty organic materials, and as a research chemical for academic and commercial laboratories developing new therapeutic compounds. OYSI maintains reliable supply channels for 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one, supporting European customers with comprehensive technical documentation and regulatory compliance support.

Safety & Classification

Danger
Classification:

Repr. 1B; Acute Tox. 2; Acute Tox. 3; Acute Tox. 2; STOT RE 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H330

Fatal if inhaled.

H311

Toxic in contact with skin.

H300

Fatal if swallowed.

H372

Causes damage to organs through prolonged or repeated exposure.

H410

Very toxic 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

Inhalation

Fatal

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Toxic

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Fatal

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 GroupI
Tunnel CodeC/E
Proper Shipping NameCoumatetralyl (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one?

4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one is an organic compound with the molecular formula C19H16O3 and CAS number 5836-29-3. This chromen-2-one derivative has a molecular weight of 292.3 g/mol and features a complex structure combining a chromone core with a tetrahydronaphthalene substituent. It is classified as a highly hazardous substance with multiple toxicity concerns including reproductive toxicity, acute toxicity, and environmental hazards.

What are the physicochemical properties of 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one?

4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one is a solid organic compound with a molecular weight of 292.3 g/mol. The compound contains hydroxyl and ketone functional groups, suggesting moderate polarity. Its chromone structure typically exhibits limited water solubility but better solubility in organic solvents. The presence of aromatic rings and the hydroxyl group may contribute to its stability under normal conditions, though specific physical data should be confirmed through technical documentation.

What is 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one used for?

4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one is primarily used in specialized chemical research and pharmaceutical intermediate applications. Its chromone structure makes it valuable in medicinal chemistry research and as a building block for more complex molecules. Due to its high toxicity classification (Repr. 1B, Acute Tox. 2-3), its use is restricted to professional applications with appropriate safety measures and regulatory compliance.

How to handle 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one safely?

4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one requires extreme caution due to its Danger classification and multiple hazard classes. Personnel must wear appropriate PPE including chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume extraction. Avoid skin contact, inhalation, and ingestion. Implement strict hygiene measures including thorough hand washing and contaminated clothing removal before leaving work areas.

How to store 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one correctly?

4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one must be stored in a secure, well-ventilated area away from heat sources and incompatible materials. Use tightly sealed, chemically compatible containers and maintain cool, dry conditions. Due to its high toxicity and reproductive hazard classification, implement restricted access controls and proper labeling. Store away from oxidizing agents and ensure compliance with local regulations for highly hazardous substances. Regular inventory checks and leak inspections are essential.

What to do in case of contact with 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one?

Immediate action is required for any contact with 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one due to its high acute toxicity. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with water for 15 minutes. Seek immediate medical attention in all cases, providing the safety data sheet to medical personnel. Never induce vomiting if ingested.

How to dispose of 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one properly?

4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one must be disposed of as hazardous waste through licensed waste management companies. Due to its multiple hazard classifications including environmental toxicity (Aquatic Chronic 1), it cannot be disposed of in regular waste streams or released to the environment. Containerize waste in compatible packaging, label appropriately, and maintain waste tracking documentation. Consult local environmental authorities for specific disposal requirements and approved disposal facilities.

How to transport 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one?

4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one is classified under ADR Class 6.1 (Toxic substances), Packing Group I, indicating high toxicity requiring the most stringent transport controls. Shipments must use UN-approved packaging, proper labeling with toxic substance markings, and appropriate transport documentation. Only authorized carriers experienced in hazardous materials transport should handle shipments. Vehicle placarding and driver certification requirements apply according to ADR regulations.

Is 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one subject to specific regulations?

4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one is subject to comprehensive chemical regulations including REACH registration requirements in Europe and CLP classification obligations. While not currently listed as a SVHC, its Repr. 1B classification may trigger additional restrictions. Companies must maintain safety data sheets, implement risk management measures, and ensure worker protection compliance. Import/export may require permits, and workplace exposure limits must be observed where established by national authorities.

Where to buy 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one in Europe?

4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one is available through specialized chemical distributors like OYSI, a European distributor of technical chemicals. Due to its high hazard classification, procurement is limited to qualified professional users with appropriate handling capabilities and regulatory compliance. Suppliers must provide comprehensive documentation including safety data sheets, certificates of analysis, and transport classification. Contact OYSI directly for availability, technical specifications, and regulatory support for this controlled substance.

Data Sources

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