Absorption, Distribution and Excretion
The permeability of isolated rat skin to 1-Hexanols increased due to hydration within the first 10 hours, then returned to baseline levels. The reported dermal flux of human skin (epidermis) in vitro is 0.044 mg/cm²/hr, indicating low dermal absorption. Metabolism/Metabolites 1-Hexanols is converted to hexanoic acid via a series of oxidation processes, followed by β-oxidation. Similar to pentanol and n-octanol, 1-Hexanols has a high affinity for alcohol dehydrogenase (ADH) and is a potent inhibitor of ethanol oxidation. The metabolic pathway of 1-Hexanols involves direct binding to glucuronic acid, oxidation to carboxylic acid, and ultimately, carbon dioxide. Rabbit metabolic studies indicate that oxidation to hexanoic acid is the primary metabolic pathway, mediated by alcohol dehydrogenases and aldehyde dehydrogenases. Direct binding to glucuronic acid is a secondary metabolic pathway.

Non-Human Toxicity Values
Mice oral LD50: 1950 mg/kg Mice oral LD50: 4000 mg/kg Rat oral LD50: 720 mg/kg Rat oral LD50: 4590 mg/kg For more complete non-human toxicity data for 1-Hexanols (9 types in total), please visit the HSDB record page.

[1]. Surface potential of 1-hexanol solution: comparison with methyl isobutyl carbinol. J Phys Chem B. 2013 Jun 27;117(25):7615-20.

[2]. The nature of uncoupling by n-hexane, 1-hexanethiol and 1-hexanol in rat liver mitochondria. Biochim Biophys Acta. 1996 May 20;1274(1-2):39-47.

Hexanols is a transparent, colorless liquid composed of six-carbon isomers of alcohols with similar chemical properties. Its vapor is heavier than air. It is used in pharmaceutical manufacturing and as a solvent. n-Hexanols is a transparent, colorless liquid. Its flash point is 149 °F (65 °C). It is less dense than water and insoluble in water. Its vapor is heavier than air. n-Hexanols is a primary alcohol, a compound in which hexane is replaced by a hydroxyl group at the 1-position. It can be used as a plant metabolite, antibacterial agent, fragrance, and warning pheromone. It is both a primary alcohol and Hexanols. 1-Hexanols has been reported to exist in Magnolia officinalis, Pternistria bispina, and other organisms with relevant data. 1-Hexanols is an organic alcohol with a six-carbon chain and its structural formula is CH3(CH2)5OH. This colorless liquid is slightly soluble in water but miscible with ether and ethanol. 1-Hexanols also has two straight-chain isomers, 2-Hexanols and 3-Hexanols, which differ in the position of the hydroxyl group. Many isomeric alcohols have the molecular formula C6H13OH. 1-Hexanols is considered one of the components of the freshly cut grass scent. It is used in the perfume industry. 1-Hexanols is a metabolite found or produced in Saccharomyces cerevisiae. See also: Alcohols, C6-9 (note moved to). Mechanism of Action… Studies have found that ethanol and 1-Hexanols exhibit two competing concentration-dependent effects on the Ca(2+)-dependent, phorbol ester-dependent, or diacylglycerol-dependent activities of PKCα associated with RhoA or Cdc42: low concentrations of alcohol enhance activity, while high concentrations weaken it. Measurements of the concentration-response curves of Cdc42-induced activation of Ca²⁺, phorbol ester, and diacylglycerol showed that the activation effect corresponds to a shift of the midpoint of each curve towards lower activator concentrations, while the weakening effect corresponds to a decrease in the level of induced activity at the maximum activator concentration. The presence of ethanol enhanced the interaction between PKCα and Cdc42 within the concentration range corresponding to the enhancing effect, while higher concentrations of ethanol (which were found to reduce activity) had no effect on binding levels.

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Therapeutic Use
MeSH Title: Anesthetics, Nicotine Antagonists

C6H14O

102.17

102.104

111-27-3

1-Hexanol-d13;204244-84-8;1-Hexanol-d11;2159-18-4;1-Hexanol-d3;52598-04-6;1-Hexanol-d5;64118-18-9

8103

Colorless to light yellow liquid

0.8±0.1 g/cm3

158.2±3.0 °C at 760 mmHg

−52 °C(lit.)

60.0±0.0 °C

0.9±0.6 mmHg at 25°C

1.416

1.94

1

1

4

7

27.4

0

O([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]

ZSIAUFGUXNUGDI-UHFFFAOYSA-N

InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

hexan-1-ol

2934.99.9001

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Ethanol: 100 mg/mL (978.76 mM)

Solubility in Formulation 1: ≥ 2.5 mg/mL (24.47 mM) (saturation unknown) in 10% EtOH + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear EtOH stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

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Solubility in Formulation 2: ≥ 2.5 mg/mL (24.47 mM) (saturation unknown) in 10% EtOH + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear EtOH stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (24.47 mM) (saturation unknown) in 10% EtOH + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear EtOH stock solution to 900 μL of corn oil and mix evenly.

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 (Please use freshly prepared in vivo formulations for optimal results.)