3-methyl-5-phenylpentanal

C12H16O

CAS55066-49-4
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
55066-49-4
EC Number
433-900-0
UN Number
3082
Index Number
605-038-00-7
PubChem CID
108313

Physical-chemical properties

Molecular Formula
C12H16O
Molar Mass
176.25 g/mol
IUPAC Name
3-methyl-5-phenylpentanal

Chemical Identifiers

InChI
InChI=1S/C12H16O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
InChI Key
DFJMIMVMOIFPQG-UHFFFAOYSA-N

Overview

3-methyl-5-phenylpentanal (CAS 55066-49-4) is an aromatic aldehyde compound with a branched carbon chain structure containing both aliphatic and phenyl functional groups. This organic compound belongs to the family of substituted aldehydes, characterized by its unique molecular structure that combines a methyl branch at the third carbon position with a phenyl group at the fifth position of the pentanal backbone. With a molecular formula of C12H16O and molecular weight of 176.25 g/mol, 3-methyl-5-phenylpentanal exhibits properties typical of both aromatic and aliphatic aldehydes. The compound is classified under EC number 433-900-0 and falls within ADR Class 9 for transportation purposes. From a safety perspective, this chemical requires careful handling due to its classification profile. It carries a Warning signal word and displays GHS07 and GHS09 pictograms, indicating acute toxicity concerns, skin irritation potential, and skin sensitization properties. The compound also presents aquatic chronic toxicity risks, necessitating appropriate environmental precautions during use and disposal. These safety characteristics are somewhat similar to other complex organic compounds in industrial applications, including structurally different materials like triphenyl phosphite, which also requires careful handling protocols. 3-methyl-5-phenylpentanal finds applications in several industrial sectors, primarily as an intermediate in organic synthesis processes, fragrance formulation, and specialty chemical manufacturing. Its aromatic aldehyde structure makes it valuable in the production of fine chemicals and pharmaceutical intermediates. The compound's unique substitution pattern also enables its use in research and development applications where specific molecular architectures are required. OYSI maintains reliable supply chains for 3-methyl-5-phenylpentanal, ensuring consistent availability for European industrial customers requiring this specialized aromatic aldehyde compound.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Skin Irrit. 2; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H315

Causes skin irritation.

H317

May cause an allergic skin reaction.

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

Skin Contact

Irritant

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

Harmful

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name3-Methyl-5-phenylpentan-1-al
Marine PollutantNo

Frequently Asked Questions

What is 3-methyl-5-phenylpentanal?

3-methyl-5-phenylpentanal is an organic aldehyde compound with the molecular formula C12H16O and CAS number 55066-49-4. This chemical features a pentanal backbone with a methyl substituent at the 3-position and a phenyl group at the 5-position. With a molecular weight of 176.25 g/mol, it belongs to the class of aromatic aldehydes and exhibits moderate toxicity properties requiring careful handling in industrial applications.

What are the physicochemical properties of 3-methyl-5-phenylpentanal?

3-methyl-5-phenylpentanal is typically a colorless to pale yellow liquid at room temperature with a characteristic aldehyde odor. As an organic compound with both aliphatic and aromatic components, it shows limited water solubility but good solubility in organic solvents like ethanol, acetone, and hydrocarbons. The presence of the phenyl group contributes to its aromatic character while the aldehyde function provides reactive properties.

What is 3-methyl-5-phenylpentanal used for?

3-methyl-5-phenylpentanal is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. Its aldehyde functionality makes it valuable for producing various derivatives through condensation, oxidation, and reduction reactions. The compound finds applications in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals where its specific structural features are required for target molecule construction in industrial chemistry.

How to handle 3-methyl-5-phenylpentanal safely?

3-methyl-5-phenylpentanal requires careful handling due to its Acute Tox. 4, Skin Irrit. 2, and Skin Sens. 1 classifications. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation to prevent inhalation exposure. Avoid direct skin and eye contact, and work in well-ventilated areas or under fume hoods to minimize vapor exposure during handling operations.

How to store 3-methyl-5-phenylpentanal correctly?

3-methyl-5-phenylpentanal should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers upright and protected from physical damage. Store away from incompatible materials such as strong oxidizing agents, bases, and reducing agents. Maintain storage temperatures below 25°C and ensure proper labeling with hazard information to prevent accidental exposure or misuse.

What to do in case of contact with 3-methyl-5-phenylpentanal?

In case of skin contact with 3-methyl-5-phenylpentanal, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with plenty of clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If swallowed, do not induce vomiting and seek immediate medical attention while providing safety data sheet information.

How to dispose of 3-methyl-5-phenylpentanal appropriately?

3-methyl-5-phenylpentanal must be disposed of according to local and national hazardous waste regulations due to its toxicity and environmental classification (Aquatic Chronic 2). Contact licensed waste disposal companies for proper treatment and disposal. Do not discharge into drains, waterways, or soil. Small quantities may be suitable for incineration at appropriate high-temperature facilities with proper emission controls and regulatory approval.

How to transport 3-methyl-5-phenylpentanal?

3-methyl-5-phenylpentanal is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transportation purposes. It requires appropriate UN-specification packaging and proper shipping documentation including dangerous goods declarations. Vehicles must display appropriate placards and drivers need ADR certification. Ensure packages are properly labeled with hazard markings and oriented correctly during transport while following all applicable dangerous goods transportation regulations.

Is 3-methyl-5-phenylpentanal subject to specific regulations?

3-methyl-5-phenylpentanal is subject to REACH regulation requiring registration for manufacture or import above one tonne per year in the EU. It falls under CLP regulation for classification and labeling with Warning signal word and GHS07/GHS09 pictograms. The substance is not currently listed as SVHC (Substance of Very High Concern). Companies must comply with occupational safety regulations and provide appropriate safety data sheets to downstream users.

Where to buy 3-methyl-5-phenylpentanal in Europe?

3-methyl-5-phenylpentanal is available through OYSI, a specialized European distributor of chemical products. OYSI provides this compound with full regulatory compliance including proper documentation, safety data sheets, and appropriate packaging for industrial customers. As a professional chemical distributor, OYSI ensures product quality and regulatory compliance across European markets while supporting customers with technical expertise and reliable supply chain management for specialty chemicals.

Data Sources

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