(R)-2,5,6-trimethyl-2-heptanol

(R)-2,5,6-trimethyl-2-heptanol is a chiral alcohol characterized by a floral scent, primarily studied for informational purposes without commercial use in fragrances or flavors.

General Material Description

(R)-2,5,6-trimethyl-2-heptanol is a chiral secondary alcohol with the molecular formula C₁₀H₂₂O and a molecular weight of approximately 158.28 g/mol. It exists as one specific enantiomer identifiable by stereochemical notation (5R). This compound typically appears as a colorless liquid and exhibits a floral odor reminiscent of white flowers, linalool, terpineol, and lilac notes when present in pure form. It is also known by synonyms such as 2-heptanol, 2,5,6-trimethyl-, (5R)- or (5R)-2,5,6-trimethylheptan-2-ol. Included in the PubChem database under CID 10176245, this compound is generally sourced via chemical synthesis rather than extraction from natural materials. It is primarily noted for research and informational purposes rather than practical applications.

Occurrence, Applicability & Potential Uses

(R)-2,5,6-trimethyl-2-heptanol is not commonly found occurring naturally in biological systems but is rather a synthetic compound. It has not been adopted for use in fragrance or flavor formulations due to the absence of application data and regulatory recommendations forbidding its usage in these sectors. The compound’s evaluation under the FEMA (US) standard classification identifies it only for informational purposes with no allowances for direct use in consumer products. Consequently, its role is limited to chemical analysis, research on chiral alcohols, or as a reference substance in laboratories rather than any commercial scent or taste applications.

Physico-Chemical Properties Summary

(R)-2,5,6-trimethyl-2-heptanol demonstrates moderate lipophilicity with an estimated XLogP3 value of 3.00, suggesting a preference for organic phases over aqueous environments. Its solubility in water at 25 °C is approximately 218.2 mg/L, indicating limited but measurable aqueous solubility. These properties influence its behavior in formulations, implying that it dissolves primarily in nonpolar solvents and has limited dispersion in aqueous mediums. The molecular weight of 158.28 g/mol and its secondary alcohol functional group contribute to its modest volatility and potential intermolecular hydrogen bonding capacity. These characteristics affect how it might interact in experimental contexts or when combined with other chemicals for analytical purposes.

FAQ

What is (R)-2,5,6-trimethyl-2-heptanol and what are its key characteristics?

(R)-2,5,6-trimethyl-2-heptanol is a chiral secondary alcohol with a floral odor profile, described as similar to white flowers and lilac. It has the molecular formula C₁₀H₂₂O and a molecular weight around 158.28 g/mol. This compound is known under several synonyms, including 2-heptanol, 2,5,6-trimethyl-, (5R)-, and is mainly studied for its chemical properties rather than practical applications.

Where is (R)-2,5,6-trimethyl-2-heptanol found and how is it used?

(R)-2,5,6-trimethyl-2-heptanol is primarily a synthetic compound and not known to occur naturally in biological contexts. It is not used in fragrances or flavorings due to lack of regulatory approval and practical usage data. Instead, it is utilized mainly for research purposes and as a reference chemical in analytical studies within chemical and sensory research fields.

What regulations and safety considerations apply to (R)-2,5,6-trimethyl-2-heptanol?

(R)-2,5,6-trimethyl-2-heptanol is not registered for use in fragrance or flavor products under FEMA (US) guidelines, and safety data indicate no classified hazards or precautionary statements according to OSHA HCS standards. Its toxicity data, including oral, dermal, and inhalation toxicity, remain undetermined, emphasizing its restriction to informational and laboratory research uses rather than consumer applications.

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

Google Scholar	Start search
Google Books	Start search
Google Patents	Start search
Perfumer & Flavorists	Start search
EU Patents	Start search
PubMeb	Start search
NCBI	Start search

Other Information

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
ChemSpider:	View

General Material Information

Trivial Name	(R)-2,5,6-trimethyl-2-heptanol
Short Description	2-heptanol, 2,5,6-trimethyl-, (5R)-
Formula	C10 H22 O
xLogP3-AA	3.00 (est)
NMR Predictor	External link
Synonyms	2-heptanol, 2,5,6-trimethyl-, (5R)- (+)-(R)-2,5,6-trimethyl-2-heptanol (5R)-2,5,6-trimethyl-2-heptanol (5R)-2,5,6-trimethylheptan-2-ol

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	158.28454589844
Solubility
water, 218.2 mg/L @ 25 °C (est)	Yes

Organoleptic Properties

Odor Type: Floral
floral, bois de rose, terpenic, lilac, fruity
General comment	At 100.00 %. white flowers linalool terpineol lilac fruity

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:
information only not used for fragrances or flavors
Recommendation for (R)-2,5,6-trimethyl-2-heptanol usage levels up to:
	not for fragrance use.

Recommendation for (R)-2,5,6-trimethyl-2-heptanol flavor usage levels up to:
	not for flavor use.

Safety references

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

Laboratory Chemical Safety Summary :10176245

(5R)-2,5,6-trimethylheptan-2-ol