3-(3-propan-2-ylphenyl)butanal

C13H18O

CAS125109-85-5
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt

Consulting for 3-(3-propan-2-ylphenyl)butanal

Our experts support you with application, dosage, and compliance.

Request Consultation

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 with distinctive structural properties featuring an isopropyl-substituted phenyl ring. This specialized 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 compound exhibits specific chemical properties that make it valuable in various industrial applications. The presence of both aromatic and aliphatic components in its structure provides versatility in chemical reactions and formulation compatibility. From a safety perspective, 3-(3-propan-2-ylphenyl)butanal is classified as Aquatic Chronic 2 under GHS regulations, displaying the GHS09 environmental hazard pictogram. This classification indicates potential long-term adverse effects on aquatic environments, requiring appropriate handling and disposal measures. The compound falls under ADR Class 9 for transportation purposes, designating it as a miscellaneous dangerous substance that requires specific packaging and documentation protocols. The compound finds primary applications in the fragrance and flavor industry, where its aldehyde functionality contributes to complex aromatic profiles. Additionally, it serves as an important intermediate in organic synthesis for pharmaceuticals and specialty chemicals. Its structural similarity to other complex aromatic compounds, such as N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide, makes it valuable in research applications exploring structure-activity relationships. OYSI maintains reliable supply chains for 3-(3-propan-2-ylphenyl)butanal, ensuring consistent availability for European industrial customers requiring this specialized aromatic aldehyde compound.

Safety & Classification

Classification:

Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H411

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Namebeta-Methyl-3-(1-methylethyl)-benzenpropanal
Marine PollutantNo

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 chemical features a butanal backbone substituted with an isopropylphenyl group, giving it a molecular weight of 190.28 g/mol. It belongs to the aromatic aldehyde family and is classified as having chronic aquatic toxicity hazards under the GHS system.

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 molecular weight of 190.28 g/mol. As an aromatic aldehyde, it typically exhibits a characteristic odor and limited water solubility due to its hydrophobic aromatic structure. The compound contains both polar aldehyde and nonpolar aromatic components, making it soluble in organic solvents like alcohols and hydrocarbons.

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, oxidation to carboxylic acids, and reduction to alcohols. The compound may also serve as a building block in pharmaceutical synthesis, specialty chemical production, and potentially in fragrance or flavor chemistry due to its aromatic structure.

How to handle 3-(3-propan-2-ylphenyl)butanal safely?

3-(3-propan-2-ylphenyl)butanal requires standard chemical handling precautions with particular attention to environmental protection due to its Aquatic Chronic 2 classification. Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation when handling and avoid release to water systems. Work in a well-ventilated area or under fume extraction to prevent vapor accumulation.

How to store 3-(3-propan-2-ylphenyl)butanal correctly?

3-(3-propan-2-ylphenyl)butanal should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly sealed to prevent oxidation and contamination. Store away from strong oxidizing agents and bases that could react with the aldehyde group. Ensure storage areas have appropriate spill containment measures to prevent environmental release, given its aquatic toxicity classification.

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. For eye contact, rinse thoroughly with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Remove contaminated clothing and wash before reuse.

How to dispose of 3-(3-propan-2-ylphenyl)butanal appropriately?

3-(3-propan-2-ylphenyl)butanal must be disposed of according to local and national hazardous waste regulations due to its environmental classification. The substance should never be released to water systems or soil given its Aquatic Chronic 2 classification. Arrange disposal through licensed hazardous waste contractors who can handle organic chemical waste. Incineration at appropriate high-temperature facilities may be suitable for complete destruction.

How to transport 3-(3-propan-2-ylphenyl)butanal?

3-(3-propan-2-ylphenyl)butanal is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation for road transport. Use UN-approved packaging suitable for Class 9 materials and ensure proper hazard labels including the GHS09 environmental pictogram are displayed. Follow ADR regulations for loading, segregation, and transport documentation.

Is 3-(3-propan-2-ylphenyl)butanal subject to specific regulations?

3-(3-propan-2-ylphenyl)butanal is subject to standard chemical regulations under REACH and CLP in Europe, requiring appropriate classification, labeling, and safety data sheets. The compound is not currently listed as a Substance of Very High Concern (SVHC). However, its Aquatic Chronic 2 classification means it must comply with environmental protection regulations and requires the GHS09 pictogram on labels and safety documentation.

Where to buy 3-(3-propan-2-ylphenyl)butanal in Europe?

3-(3-propan-2-ylphenyl)butanal is available through OYSI, a European distributor of specialty chemicals and intermediates. OYSI provides this compound with full regulatory compliance, proper documentation, and appropriate packaging for safe delivery across Europe. Contact OYSI directly for availability, specifications, and pricing information. Ensure your supplier provides complete safety data sheets and meets all REACH registration requirements for this substance.

Data Sources

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