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3-methyl-6-ethyl-5-octen-1-ol

3-methyl-6-ethyl-5-octen-1-ol is a floral-scented fragrance compound used primarily in perfuming applications.
Chemical Structure

General Material Description

3-methyl-6-ethyl-5-octen-1-ol is an aliphatic unsaturated alcohol characterized by the molecular formula C11H22O. This compound belongs to the class of primary alcohols featuring an eight-carbon chain with methyl and ethyl substituents and a double bond near the alcohol group. It is primarily identified by its floral aldehydic odor reminiscent of lily of the valley and muguet, making it valuable in fragrance applications. Synonyms include 6-ethyl-3-methyl oct-5-en-1-ol and 5-octen-1-ol, 6-ethyl-3-methyl-. This material is typically derived through chemical synthesis routes and can be found referenced in chemical databases such as PubChem (CID 117305). Its physical form is generally a liquid with characteristic perfuming properties, and it is utilized in specialized fragrance formulations due to its distinctive scent profile.

Occurrence, Applicability & Potential Uses

3-methyl-6-ethyl-5-octen-1-ol occurs as a synthetic fragrance ingredient rather than a naturally abundant substance. Its floral aldehydic character finds use mainly in perfuming agents, contributing fresh and elegant notes to complex scent profiles. The compound is recognized in fragrance industry standards such as IFRA (Global), which governs safe usage levels. While this substance is not approved for flavor use, it is employed widely in cosmetic products to enhance olfactory appeal, especially in fine perfumes and personal care items. Its stability and scent longevity make it a useful compound for fragrance developers aiming to create refined floral compositions.

Physico-Chemical Properties Summary

3-methyl-6-ethyl-5-octen-1-ol exhibits a moderate boiling point between 144 and 145°C at standard atmospheric pressure (760 mm Hg), which affects its evaporation rate in formulations. The vapor pressure at 25°C is low, approximately 0.005 mmHg, indicating limited volatility under ambient conditions. This alcohol is soluble in organic solvents such as alcohol but only sparingly soluble in water, with an estimated water solubility of about 69.47 mg/L at 25°C. Its estimated log P value of approximately 3.6 reflects significant lipophilicity, enhancing solubility in non-polar media. The flash point around 133°C (converted from 272°F) suggests safe handling at typical room temperatures but caution during elevated temperatures. These properties influence the incorporation and stability of the compound in fragrance and perfuming formulations.

FAQ

What is 3-methyl-6-ethyl-5-octen-1-ol and what are its primary uses?
3-methyl-6-ethyl-5-octen-1-ol is a synthetic aliphatic unsaturated alcohol known for its floral aldehydic scent reminiscent of lily of the valley. It is primarily used as a fragrance ingredient in perfuming agents to impart fresh and elegant floral notes. It is not approved for flavor use but is widely utilized in cosmetics for its olfactory properties.
How is 3-methyl-6-ethyl-5-octen-1-ol characterized in terms of its physical and chemical properties?
This compound has a boiling point range of 144 to 145°C at atmospheric pressure and a low vapor pressure of 0.005 mmHg at 25°C, indicating moderate volatility. It is soluble in organic solvents like alcohol but shows limited water solubility. The estimated log P of about 3.6 demonstrates its lipophilic nature, which affects formulation behavior in fragrance products. Its flash point near 133°C warrants attention during processing but is consistent with common fragrance ingredients.
What regulations and safety information are associated with 3-methyl-6-ethyl-5-octen-1-ol?
3-methyl-6-ethyl-5-octen-1-ol has no hazards classified under OSHA's Hazard Communication Standard (29 CFR 1910) and presents no identified precautionary statements. The International Fragrance Association (IFRA) provides guidelines and usage restrictions to ensure safe application in perfume and cosmetic products. Its registration under the REACH regulation (EU) ensures compliance within European chemical safety frameworks. Safety assessments from the Research Institute for Fragrance Materials (RIFM) are available, but toxicological data such as oral, dermal, or inhalation toxicity remain not fully determined.

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

General Material Information

Preferred name 3-methyl-6-ethyl-5-octen-1-ol
Trivial Name 6-Ethyl-3-methyl-5-octen-1-ol
Short Description 5-octen-1-ol, 6-ethyl-3-methyl-
Formula C11 H22 O
CAS Number 26330-64-3
ECHA Number 247-615-2
FDA UNII Search
Nikkaji Number J248.905H
xLogP3-AA 3.50 (est)
NMR Predictor External link
Synonyms
  • 6-ethyl-3-methyl oct-5-en-1-ol
  • 6-ethyl-3-methyl oct-5-enol
  • 6-ethyl-3-methyloct-5-en-1-ol
  • 3-methyl-6-ethyl-5-octen-1-ol
  • 5-octen-1-ol, 6-ethyl-3-methyl-
  • 5-Octen-1-ol, 6-ethyl-3-methyl-
  • 6-Ethyl-3-methyl-5-octen-1-ol

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 170.29554748535
Boiling Point 144 to 145°C @ 760 mm Hg
Vapor Pressure 0.005 mmHg @ 25 °C
Flash Point TCC Value 133.6 °C TCC
logP (o/w) 3.629 est
Solubility
alcohol Yes
water, 69.47 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
floral, aldehydic, muguet, lily of the valley
General comment At 1.00 % in dipropylene glycol. floral aldehydic muguet lily of the valley

Safety Information

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 3-methyl-6-ethyl-5-octen-1-ol flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):26330-64-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :117305
National Institute of Allergy and Infectious Diseases:Data
6-ethyl-3-methyloct-5-en-1-ol
Chemidplus:0026330643