(E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol

C15H26O

CAS107898-54-4
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
107898-54-4
EC Number
411-580-3
UN Number
3082
Index Number
603-150-00-0
PubChem CID
15984303

Physical-chemical properties

Molecular Formula
C15H26O
Molar Mass
222.37 g/mol
IUPAC Name
(E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol

Chemical Identifiers

InChI
InChI=1S/C15H26O/c1-11-7-8-13(15(11,5)6)9-10-14(3,4)12(2)16/h7,9-10,12-13,16H,8H2,1-6H3/b10-9+
InChI Key
QZFSNJAQFWEXEA-MDZDMXLPSA-N

Overview

(E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol (CAS 107898-54-4) is a complex tertiary alcohol with a distinctive cyclopentenyl substituent and significant structural branching. This specialty chemical compound belongs to the family of substituted alcohols featuring both cyclic and linear structural elements. With a molecular formula of C15H26O and molecular weight of 222.37 g/mol, this substance exhibits unique steric properties due to its highly branched architecture combining a trimethyl-substituted cyclopentenyl ring with a dimethyl-substituted pentenol chain. The compound presents moderate safety considerations, classified under GHS hazard categories for skin irritation (Skin Irrit. 2) and aquatic toxicity (Aquatic Acute 1; Aquatic Chronic 1). The Warning signal word and associated pictograms GHS07 and GHS09 indicate the need for proper handling procedures to prevent dermal contact and environmental release. Its ADR classification as Class 9 (miscellaneous dangerous goods) requires appropriate transport documentation and packaging specifications. From a chemical perspective, this tertiary alcohol shares structural complexity with other specialized organic compounds used in fine chemical applications, though it differs significantly from simpler aromatic derivatives like 2-cyclopentyloxyethylbenzene in terms of functional group positioning and molecular architecture. Primary industrial applications include use as an intermediate in fragrance synthesis, specialty polymer modifications, and custom chemical manufacturing processes where its unique structural features provide specific performance characteristics. The compound's branched structure and alcohol functionality make it particularly valuable in applications requiring controlled reactivity and steric selectivity. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial customers requiring high-quality technical materials.

Safety & Classification

Warning
Classification:

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

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H315

Causes skin irritation.

H400

Very toxic to aquatic life.

H410

Very 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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name(+/-)trans-3,3-Dimethyl-5-(2,2,3-trimethyl-cyclopent-3-en-1-yl)-pent-4-en-2-ol
Marine PollutantNo

Frequently Asked Questions

What is (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol?

(E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol is an organic alcohol compound with the molecular formula C15H26O and CAS number 107898-54-4. This complex molecule features a cyclopentenyl ring system with multiple methyl substituents and a secondary alcohol functional group. With a molecular weight of 222.37 g/mol, it belongs to the class of synthetic organic compounds and is classified as a skin irritant with aquatic toxicity properties.

What are the physicochemical properties of (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol?

(E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol is a liquid organic compound at room temperature due to its alcohol functionality and molecular structure. The presence of the hydroxyl group suggests moderate polarity, while the extensive hydrocarbon framework provides lipophilic characteristics. The compound likely exhibits limited water solubility but good solubility in organic solvents. Its complex stereochemistry, indicated by the (E)-configuration, influences its physical properties and biological activity.

What is (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol used for?

(E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol is primarily used in the fragrance and flavor industry as an aromatic compound. Its complex molecular structure with cyclic and branched components makes it valuable for creating sophisticated scent profiles in perfumery applications. The compound may also serve as an intermediate in organic synthesis for developing other specialty chemicals. Its unique structural features make it suitable for applications requiring specific olfactory properties.

How to handle (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol safely?

(E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol requires careful handling due to its skin irritant properties (Skin Irrit. 2). Wear appropriate personal protective equipment including chemical-resistant gloves, safety glasses, and protective clothing. Ensure adequate ventilation in work areas and avoid direct skin and eye contact. The compound displays GHS07 and GHS09 pictograms, indicating health and environmental hazards. Handle in well-ventilated areas and follow standard chemical safety protocols to prevent exposure.

How to store (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol correctly?

(E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and direct sunlight. Due to its aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1), prevent environmental release and store away from water sources. Keep containers properly labeled and ensure secondary containment measures are in place. Store separately from incompatible materials and maintain appropriate temperature conditions to preserve product stability.

What to do in case of contact with (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol?

In case of skin contact with (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Given its skin irritant classification, monitor for irritation symptoms and seek medical advice if irritation persists or worsens.

How to dispose of (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol appropriately?

(E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol must be disposed of as hazardous waste due to its aquatic toxicity classification. Never dispose of this substance down drains or into the environment. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Follow local and national regulations for chemical waste management. The waste should be handled by qualified professionals who can ensure environmentally safe disposal methods, considering its potential impact on aquatic ecosystems.

How to transport (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol?

(E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transport purposes. This classification indicates it poses a relatively lower degree of danger during transport but still requires proper packaging and documentation. Use appropriate UN-specification packaging and ensure proper labeling with hazard markings. Transport documents must include the correct shipping name, UN number, and hazard class information according to dangerous goods regulations.

Is (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol subject to specific regulations?

(E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol is subject to REACH regulation for registration and evaluation within the European Union. Under CLP regulation, it requires classification and labeling due to its skin irritant and aquatic toxicity properties. The substance is not currently identified as a Substance of Very High Concern (SVHC). Users must comply with safety data sheet requirements and ensure proper risk assessment and management measures are implemented according to European chemical legislation.

Where to buy (E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol in Europe?

(E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol is available through OYSI, a specialized European distributor of chemical products. OYSI provides this compound to professional users and industries requiring high-quality specialty chemicals. As an established European chemical distributor, OYSI ensures proper handling, documentation, and compliance with European regulations. Contact OYSI directly to inquire about availability, specifications, and delivery options for this specialized fragrance compound.

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(E)-3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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