(S)-(+)-2-hexanol

(S)-(+)-2-hexanol is an optically active secondary alcohol classified by the molecular formula C6H14O and a molecular weight of approximately 102.18 g/mol. It is one of the stereo-specific 2-hexanol isomers, distinguished by its (S) configuration. This compound is characterized by an earthy odor with additional mushroom, green, ripe berry, astringent, and metallic scent nuances. It is available under several synonymous names including (2S)-hexan-2-ol and 2-hexanol, (S)-. The compound can be linked to its PubChem database entry for comprehensive chemical information. Typically obtained via chemical synthesis or through stereoselective methods, (S)-(+)-2-hexanol finds use in flavor applications where the earthy aroma note is desirable.

(S)-(+)-2-hexanol naturally occurs in some biological systems that produce chiral alcohols and various aroma compounds. It is mainly applied as a flavoring agent due to its distinctive earthy and fruity olfactory profile. Flavorists utilize it to impart complex green and ripe berry notes in food products and beverages. Regarding regulatory standards, this compound falls under FEMA (US) regulations for flavoring substances, where its usage levels and safety are evaluated for human consumption. Its chiral nature makes it relevant in studies exploring enantioselective influences on flavor perception and formulation.

(S)-(+)-2-hexanol displays specific physical and chemical properties that influence its handling and formulation. It has a boiling point range from 139 to 170 °C at standard pressure, indicative of moderate volatility suitable for flavor incorporation. The specific gravity is 0.818 at 25 °C, reflecting its density relative to water. Its flash point, measured at 124 °F (approximately 51 °C), gives insight into its flammability risk during processing. The compound exhibits a log P value near 1.75, demonstrating moderate lipophilicity that may affect its solubility and distribution in flavor matrices. Solubility characteristics indicate it is soluble in alcohol ethanol and partially soluble in water, estimated at 11,700 mg/L at 25 °C. Vapor pressure at 25 °C is 2.634 mmHg, showing a tendency to volatilize into the atmosphere under ambient conditions. These attributes guide the selection and application of (S)-(+)-2-hexanol in flavor systems.

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Safety information

Preferred SDS: View
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:
flavoring agents
Recommendation for (S)-(+)-2-hexanol usage levels up to:
	not for fragrance use.

Safety references

EPI System: View

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Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :638097

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 1992

WGK Germany:3

(2S)-hexan-2-ol

Chemidplus:0052019780