2,5,7,7-tetramethyloctanal

C12H24O

CAS114119-97-0
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
114119-97-0
EC Number
405-690-0
UN Number
3077
Index Number
605-026-00-1
PubChem CID
19981043

Physical-chemical properties

Molecular Formula
C12H24O
Molar Mass
184.32 g/mol
IUPAC Name
2,5,7,7-tetramethyloctanal

Chemical Identifiers

InChI
InChI=1S/C12H24O/c1-10(8-12(3,4)5)6-7-11(2)9-13/h9-11H,6-8H2,1-5H3
InChI Key
HZAYXCABCQOHLC-UHFFFAOYSA-N

Overview

2,5,7,7-tetramethyloctanal (CAS 114119-97-0) is a branched aliphatic aldehyde with distinctive methylation patterns and fragrance properties. This specialized organic compound belongs to the family of methylated octanals, characterized by its unique substitution pattern with methyl groups at positions 2, 5, and two at position 7 of the octanal backbone. With a molecular formula of C12H24O and molecular weight of 184.32 g/mol, this aldehyde exhibits the typical reactivity profile associated with carbonyl compounds while offering specific olfactory characteristics that make it valuable in fragrance applications. The compound's branched structure, particularly the geminal dimethyl groups at position 7, contributes to its stability and distinctive properties compared to linear aldehydes. This structural feature places it in the same category as other methylated fragrance compounds, sharing certain characteristics with related substances like 3,7-dimethyloctanenitrile in terms of branching patterns and industrial applications. From a safety perspective, 2,5,7,7-tetramethyloctanal is classified with Warning signal word under GHS regulations, presenting skin irritation and sensitization concerns (Skin Irrit. 2; Skin Sens. 1) as well as chronic aquatic toxicity (Aquatic Chronic 2). The compound requires careful handling protocols and appropriate personal protective equipment during industrial processing. Primary industrial applications include fragrance and flavor formulations, where its aldehyde functionality provides characteristic notes in perfumery compositions. The compound also serves as an intermediate in organic synthesis and specialty chemical manufacturing, particularly in the development of complex fragrance molecules and related aromatic compounds. OYSI maintains reliable supply channels for 2,5,7,7-tetramethyloctanal, ensuring consistent availability for European industrial customers requiring this specialized aldehyde for their formulation and manufacturing processes.

Safety & Classification

Warning
Classification:

Skin Irrit. 2; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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:

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name2,5,7,7-Tetramethyloctanal
Marine PollutantNo

Frequently Asked Questions

What is 2,5,7,7-tetramethyloctanal?

2,5,7,7-tetramethyloctanal is an organic aldehyde compound with the molecular formula C12H24O and CAS number 114119-97-0. This branched aliphatic aldehyde has a molecular weight of 184.32 g/mol and features multiple methyl substituents on an octanal backbone. It is classified as a skin irritant and sensitizer with moderate aquatic toxicity, requiring careful handling in industrial applications.

What are the physicochemical properties of 2,5,7,7-tetramethyloctanal?

2,5,7,7-tetramethyloctanal is a liquid aldehyde at room temperature with characteristic aldehyde odor properties. As a C12 branched aldehyde with molecular weight 184.32 g/mol, it exhibits typical aldehyde reactivity and moderate volatility. The compound has limited water solubility due to its hydrophobic alkyl chain structure but is soluble in organic solvents. Its branched structure influences its physical properties compared to linear aldehydes.

What is 2,5,7,7-tetramethyloctanal used for?

2,5,7,7-tetramethyloctanal is primarily used in the fragrance and flavor industry as an aromatic compound due to its aldehyde structure. It serves as an intermediate in organic synthesis and chemical manufacturing processes. The compound may also be utilized in the production of specialty chemicals, surfactants, or as a building block for more complex molecular structures in pharmaceutical or agrochemical applications.

How to handle 2,5,7,7-tetramethyloctanal safely?

2,5,7,7-tetramethyloctanal requires careful handling due to its skin irritant and sensitizing properties (Skin Irrit. 2; Skin Sens. 1). Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation in work areas and avoid direct skin and eye contact. Use in well-ventilated areas or under fume extraction systems to minimize inhalation exposure and prevent sensitization reactions.

How to store 2,5,7,7-tetramethyloctanal correctly?

2,5,7,7-tetramethyloctanal should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers closed when not in use to prevent oxidation typical of aldehydes. Store separately from strong oxidizing agents, acids, and bases to prevent incompatible reactions. Maintain storage temperatures below 25°C and ensure proper labeling with hazard warnings.

What to do in case of contact with 2,5,7,7-tetramethyloctanal?

In case of skin contact with 2,5,7,7-tetramethyloctanal, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Due to its sensitizing properties, seek medical advice if irritation persists or allergic reactions develop.

How to dispose of 2,5,7,7-tetramethyloctanal properly?

2,5,7,7-tetramethyloctanal waste must be disposed of according to local and national hazardous waste regulations due to its environmental classification (Aquatic Chronic 2). Contact licensed waste disposal companies for proper treatment and disposal. Do not discharge into drains, soil, or water bodies. Waste containers should be properly labeled and stored securely until collection. Consider recovery or recycling options where technically and economically feasible.

How to transport 2,5,7,7-tetramethyloctanal?

2,5,7,7-tetramethyloctanal is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. Use appropriate UN-specification packaging and ensure proper labeling with Class 9 hazard labels. Transport documents must include correct shipping name, UN number, and hazard class. Vehicles must comply with ADR requirements including equipment and driver training for Class 9 materials.

Is 2,5,7,7-tetramethyloctanal subject to specific regulations?

2,5,7,7-tetramethyloctanal is subject to REACH regulation in Europe and must comply with CLP classification requirements as indicated by its GHS07 and GHS09 pictograms. It is not currently listed as an SVHC (Substance of Very High Concern). Users must follow workplace safety regulations due to its skin sensitizing properties and implement appropriate risk management measures according to safety data sheet requirements.

Where to buy 2,5,7,7-tetramethyloctanal in Europe?

2,5,7,7-tetramethyloctanal is available through OYSI, a European distributor of specialty chemicals, ensuring reliable supply and regulatory compliance across European markets. OYSI provides technical support, proper documentation including safety data sheets, and maintains quality standards for industrial customers. Contact OYSI directly for availability, specifications, and delivery options to your location within Europe for both small and large quantity requirements.

Data Sources

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