Absorption, Distribution and Excretion
Rats were exposed to air containing 11.4 ppm (11)C-octanal for 2 minutes via the nasal cavity. Inhaled octanal was absorbed from the lungs in a biphasic manner, reaching peak concentrations in most tissues at 5 minutes. Tissue activity calculated based on the administered dose and the radiolabeled material retained before animal sacrifice indicated that the radiolabeled material was redistributed as metabolites after 20 minutes. The labeled carbon was excreted in a biphasic manner as (11)CO2, which accounted for almost all of the activity lost in the exposed rats.

Toxicity Summary
Identification and Uses: Octanal is a colorless liquid. It is used in the fragrance industry for the preparation of synthetic citrus oils and the synthesis of α-hexylcinnamaldehyde. Human Studies: In vitro studies have shown that octanal affects the expression of multiple chemokines and inflammatory cytokines in human A549 cells and increases the release levels of interleukin-6 (IL-6) and IL-8. Microarray analysis identified 15 differentially expressed miRNAs in A549 human alveolar cells exposed to octanal. Animal Studies: Octanal significantly reduced the number of surviving rat pups, but this was only observed at doses that caused maternal toxicity. Octanal was tested against Salmonella Typhimurium TA98, TA100, TA1535, and TA1537 under conditions with and without metabolic activation. No cytotoxic or genotoxic effects were observed. Ecotoxicity Studies: Membrane damage mechanisms involving membrane peroxidation may contribute to the antifungal activity of octanal against Penicillium finger spores. Octaldehyde stimulated aflatoxin production in Aspergillus parasiticus.
Interactions
The effects of 16 aliphatic aldehydes containing 3–10 carbon atoms on the growth of Penicillium expansum and patulin production were investigated.
When Penicillium expansum spores were inoculated into apple juice medium, several enaldehydes, including 2-propenal, (E)-2-butenal, (E)-2-pentenal, and (E)-2-hexenal, inhibited fungal growth and patulin production. Their minimum inhibitory concentrations (MICs) were 5, 50, 80, and 80 μg/mL, respectively. Vivo staining results showed that these enaldehydes killed mycelia within 4 hours. Treatment of spores with these aldehydes also resulted in a rapid loss of germination ability within 0.5–2 days. On the other hand, aliphatic aldehydes containing 8-10 carbon atoms significantly increased patulin production without affecting fungal growth: compared to the control group, 300 μg/mL octanal and 100 μg/mL (E)-2-octenal increased the concentration of patulin in the culture medium by 8.6-fold and 7.8-fold, respectively. In this study, Penicillium expansum mycelia were cultured in apple juice medium containing 300 μg/mL octanal for 3.5, 5, and 7 days, and the expression of genes involved in patulin biosynthesis was examined. The results showed that the transcriptional level of the msas gene, encoding 6-methylsalicylic acid synthase, was significantly higher in the bacterial cultures after 3.5 and 5 days of culture than in the control group. This enzyme catalyzes the first step of the patulin biosynthesis pathway. However, octanal did not increase the transcription of the msas gene in the strain after 7 days of culture, nor did it increase the transcription of the other two genes, IDH and peab1. Therefore, the increase in patulin accumulation after the addition of these aldehydes is attributed to the increase in the number of msas transcripts.

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Non-human toxicity values
Rabbit dermal LD50: 6350 mg/kg
Rat oral LD50: 5630 mg/kg

[1]. Isolation and biological activities of decanal, linalool, valencene, and octanal from sweet orange oil. J Food Sci. 2012 Nov;77(11):C1156-61.

Octaldehyde is a colorless liquid with a strong fruity aroma. It is less dense than water and insoluble in water. Its flash point is 125°F (52°C). It is used in the manufacture of perfumes and flavorings. Octaldehyde is a saturated fatty aldehyde derived from the reduction of the carboxyl group of octanoic acid (octanedioic acid). It is a plant metabolite. It is a saturated fatty aldehyde, n-alkanal, and medium-chain fatty aldehyde. Octaldehyde has been reported to be found in tea plants (Camellia sinensis), hops (Humulus lupulus), and several other organisms with relevant data. Octaldehyde is a metabolite found in or produced by the yeast Saccharomyces cerevisiae.

C8H16O

128.21

128.12

124-13-0

Octanal-d16;1219794-66-7

454

Colorless to light yellow liquid

0.8±0.1 g/cm3

163.4±0.0 °C at 760 mmHg

12-15 °C(lit.)

51.7±0.0 °C

2.1±0.3 mmHg at 25°C

1.412

3.03

0

1

6

9

59.6

0

CCCCCCCC=O

NUJGJRNETVAIRJ-UHFFFAOYSA-N

InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3

octanal

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)

DMSO : ~100 mg/mL (~779.97 mM)

Solubility in Formulation 1: ≥ 2.5 mg/mL (19.50 mM) (saturation unknown) in 10% DMSO + 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 DMSO 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 (19.50 mM) (saturation unknown) in 10% DMSO + 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 DMSO 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 (19.50 mM) (saturation unknown) in 10% DMSO + 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 DMSO 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.)