3-(3-propan-2-ylphenyl)butanal
C13H18O
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Identification
- CAS Number
- 125109-85-5
- EC Number
- 412-050-4
- UN Number
- 3082
- Index Number
- 605-028-00-2
- PubChem CID
- 86209
Physical-chemical properties
- Molecular Formula
- C13H18O
- Molar Mass
- 190.28 g/mol
- IUPAC Name
- 3-(3-propan-2-ylphenyl)butanal
Chemical Identifiers
- InChI
- InChI=1S/C13H18O/c1-10(2)12-5-4-6-13(9-12)11(3)7-8-14/h4-6,8-11H,7H2,1-3H3
- InChI Key
- OHRBQTOZYGEWCJ-UHFFFAOYSA-N
Overview
3-(3-propan-2-ylphenyl)butanal (CAS 125109-85-5) is an aromatic aldehyde compound featuring an isopropyl-substituted phenyl ring with characteristic fragrance properties. This organic compound belongs to the family of substituted aromatic aldehydes, characterized by its unique molecular structure combining a butanal chain with a 3-isopropylphenyl substituent. With a molecular formula of C13H18O and molecular weight of 190.28 g/mol, this substance exhibits typical aldehyde reactivity while maintaining structural stability under normal conditions. The presence of both aromatic and aliphatic components in its structure contributes to its distinctive chemical and physical properties. From a safety perspective, 3-(3-propan-2-ylphenyl)butanal is classified under the Aquatic Chronic 2 hazard category, indicating potential long-term effects on aquatic environments. The compound carries the GHS09 pictogram, emphasizing the need for proper environmental protection measures during handling and disposal. As a Class 9 substance under ADR regulations, it requires appropriate consideration for transportation and storage protocols. The compound finds primary applications in the fragrance and flavor industry, where its aldehyde structure contributes to complex scent profiles. It serves as an intermediate in organic synthesis processes and is utilized in specialty chemical formulations. Unlike more complex molecules such as 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, this aldehyde offers versatility in fragrance chemistry due to its relatively straightforward aromatic structure. Industrial applications also extend to the production of fine chemicals and as a building block for more complex aromatic compounds in pharmaceutical and agrochemical synthesis pathways. OYSI maintains reliable supply chains for 3-(3-propan-2-ylphenyl)butanal, supporting European customers with technical-grade material for industrial applications.
Safety & Classification
Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
Transport (ADR)
| UN Number | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | beta-Methyl-3-(1-methylethyl)-benzenpropanal |
| Marine Pollutant | No |
Frequently Asked Questions
What is 3-(3-propan-2-ylphenyl)butanal?
3-(3-propan-2-ylphenyl)butanal is an organic aldehyde compound with the molecular formula C13H18O and CAS number 125109-85-5. This aromatic aldehyde features a butanal chain attached to an isopropyl-substituted phenyl ring, giving it a molecular weight of 190.28 g/mol. It belongs to the class of substituted aromatic aldehydes and is classified as hazardous to aquatic environments with chronic toxicity effects.
What are the physicochemical properties of 3-(3-propan-2-ylphenyl)butanal?
3-(3-propan-2-ylphenyl)butanal is a liquid organic compound at room temperature with a characteristic aldehyde odor. As an aromatic aldehyde with moderate molecular weight (190.28 g/mol), it exhibits limited water solubility but good solubility in organic solvents like ethanol and acetone. The presence of the isopropyl group and aromatic ring influences its volatility and lipophilic properties, making it suitable for various industrial applications.
What is 3-(3-propan-2-ylphenyl)butanal used for?
3-(3-propan-2-ylphenyl)butanal is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. Its aldehyde functionality makes it valuable for condensation reactions, reductive amination, and other organic transformations. The compound may also serve as a building block in the production of fragrances, flavoring agents, or pharmaceutical intermediates, where its aromatic structure and functional group provide specific chemical properties.
How to handle 3-(3-propan-2-ylphenyl)butanal safely?
3-(3-propan-2-ylphenyl)butanal should be handled with standard chemical safety precautions including wearing appropriate personal protective equipment such as safety goggles, chemical-resistant gloves, and laboratory coats. Work should be conducted in well-ventilated areas or under fume hoods to avoid inhalation. Given its aquatic toxicity classification (Aquatic Chronic 2), special care must be taken to prevent environmental release and ensure proper containment during handling operations.
How to store 3-(3-propan-2-ylphenyl)butanal correctly?
3-(3-propan-2-ylphenyl)butanal should be stored in tightly sealed containers in a cool, dry place away from direct sunlight and heat sources. As an aldehyde, it may be sensitive to oxidation and should be protected from air exposure when possible. Storage areas should be well-ventilated and equipped with appropriate spill containment measures. Keep away from strong oxidizing agents and ensure containers are properly labeled according to GHS requirements.
What to do in case of contact with 3-(3-propan-2-ylphenyl)butanal?
In case of skin contact with 3-(3-propan-2-ylphenyl)butanal, immediately wash the affected area with plenty of soap and water for at least 15 minutes. If eye contact occurs, flush thoroughly with clean water for at least 15 minutes and seek medical attention. In case of inhalation, move the person to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.
How to dispose of 3-(3-propan-2-ylphenyl)butanal properly?
3-(3-propan-2-ylphenyl)butanal must be disposed of as hazardous waste through authorized waste management companies in compliance with local and European waste regulations. Due to its Aquatic Chronic 2 classification, it cannot be discharged into sewers or waterways. Waste containers should be clearly labeled and stored separately from other waste types. Incineration at licensed facilities is typically the preferred disposal method for organic compounds of this type.
How to transport 3-(3-propan-2-ylphenyl)butanal?
3-(3-propan-2-ylphenyl)butanal is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transport purposes. It requires appropriate UN-specification packaging and proper hazard labeling including the GHS09 environmental hazard pictogram. Transport documents must include the correct shipping name and UN number. Vehicles must carry appropriate emergency equipment and drivers should have ADR certification for Class 9 materials.
Is 3-(3-propan-2-ylphenyl)butanal subject to specific regulations?
3-(3-propan-2-ylphenyl)butanal is subject to European REACH regulation requiring registration for manufacture or import above certain tonnages. Under CLP regulation, it must be classified and labeled as Aquatic Chronic 2 with the GHS09 pictogram. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with occupational exposure limits, environmental discharge restrictions, and waste management requirements under relevant EU directives.
Where to buy 3-(3-propan-2-ylphenyl)butanal in Europe?
3-(3-propan-2-ylphenyl)butanal is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to industrial customers across Europe with full regulatory compliance including proper documentation, safety data sheets, and appropriate packaging. As a professional chemical distributor, OYSI ensures product quality and regulatory conformity for industrial applications while maintaining reliable supply chains throughout the European market.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.