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 aliphatic chain and distinctive fragrance properties. This organic compound belongs to the family of substituted aldehydes, characterized by its unique molecular structure combining a phenyl group with a methylated pentyl chain. 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 requires careful handling due to its safety profile. From a safety perspective, this substance is classified as Acute Tox. 4, indicating potential harmful effects if swallowed, along with skin irritation (Skin Irrit. 2) and skin sensitization properties (Skin Sens. 1). The compound also presents environmental concerns with Aquatic Chronic 2 classification, requiring appropriate disposal measures. GHS pictograms GHS07 and GHS09 with warning signal word reflect these hazard classifications. Transportation falls under ADR class 9, designating it as a miscellaneous dangerous substance. The primary industrial applications of 3-methyl-5-phenylpentanal include its use in fragrance formulations and as an intermediate in organic synthesis. Its aromatic properties make it valuable in the development of perfumes and flavoring agents, while its aldehyde functionality provides reactivity for further chemical transformations. Unlike simpler compounds such as 2-methylpropyl 2-(oxiran-2-yl)acetate, this molecule offers more complex olfactory characteristics due to its extended carbon chain and phenyl substitution. 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 a molecular weight of 176.25 g/mol. This chemical features a pentanal backbone with a methyl substituent at the 3-position and a phenyl group at the 5-position. It is classified under CAS number 55066-49-4 and belongs to the aldehyde functional group, characterized by the presence of a carbonyl group bonded to a hydrogen atom.

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

3-methyl-5-phenylpentanal is an organic liquid aldehyde with a molecular formula C12H16O and molecular weight of 176.25 g/mol. As an aldehyde compound containing both aliphatic and aromatic components, it typically exhibits moderate volatility and characteristic aldehyde odor. The presence of the phenyl group influences its solubility properties, making it more soluble in organic solvents than in water. Specific physical parameters should be verified through technical data sheets.

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 various chemical reactions including condensation, oxidation, and reduction processes. The compound may also serve as a building block in pharmaceutical synthesis, specialty chemical production, or as a precursor for more complex organic molecules. Industrial applications typically involve controlled synthesis environments due to its chemical reactivity.

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

3-methyl-5-phenylpentanal requires careful handling due to its classification as Acute Tox. 4, Skin Irrit. 2, and Skin Sens. 1. Essential protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume extraction systems. Avoid inhalation and direct contact with skin or eyes. The compound carries GHS07 pictogram indicating health hazards, requiring standard laboratory safety protocols and appropriate training for handlers.

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. As an aldehyde, it may be sensitive to oxidation and should be protected from air exposure when possible. Store away from strong oxidizing agents, acids, and bases. Containers should be properly labeled and stored in designated chemical storage areas following local safety regulations and maintaining appropriate temperature conditions.

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

Immediate action is required due to the compound's skin irritation and sensitization properties. For skin contact, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes 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 detailed emergency procedures.

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

3-methyl-5-phenylpentanal must be disposed of in accordance with local, national, and international waste regulations as hazardous chemical waste. The compound cannot be disposed of through regular waste streams due to its classification and environmental impact (Aquatic Chronic 2). Contact licensed hazardous waste disposal companies for proper treatment and disposal. Small quantities should be collected in appropriate containers and labeled clearly. Never dispose of this chemical down drains or in regular trash.

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. This classification requires specific packaging, labeling, and documentation according to international transport regulations. Packages must bear appropriate hazard labels and shipping names. Transport should only be conducted by certified carriers familiar with hazardous goods regulations. Proper shipping documentation and emergency response information must accompany all shipments.

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

3-methyl-5-phenylpentanal is subject to various chemical regulations including REACH registration requirements in Europe and CLP classification standards. The compound is not currently listed as an SVHC (Substance of Very High Concern) under REACH. However, its hazard classification requires compliance with occupational safety regulations, proper labeling according to GHS standards, and adherence to workplace exposure limits where established. Users must maintain safety data sheets and ensure proper risk assessments are conducted.

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

3-methyl-5-phenylpentanal is available through OYSI, a European distributor of specialty chemicals and laboratory reagents. OYSI provides this compound with proper documentation including certificates of analysis, safety data sheets, and regulatory compliance information required for European markets. As a specialized chemical distributor, OYSI ensures quality standards and proper handling throughout the supply chain, supporting customers with technical expertise and regulatory guidance for safe procurement and use.

Data Sources

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