Absorption, Distribution and Excretion
Rats were nose exposed to an atmosphere containing 11.4 ppm of (11)C-octanal for 2 min. Inhaled octanal was absorbed from the lungs in a biphasic manner and the greatest concentration of octanal occurred in most tissues at 5 min. Tissue activities calculated on the basis of the administered dose and on the radiolabel retained until the animal was killed indicated a redistribution of the radiolabel as metabolic products after 20 min. The labeled carbon was eliminated in a biphasic manner as (11)CO2, which accounted for essentially all of the activity lost by the exposed rats.

Toxicity Summary
IDENTIFICATION AND USE: Octylaldehyde (Octanal) is a colorless liquid. It is employed in the perfume industry for the preparation of synthetic citrus oils and for the synthesis of alpha-hexylcinnamaldehyde. HUMAN STUDIES: In vitro in human A549 cells octanal affects the expression of several chemokines and inflammatory cytokines and increases the levels of interleukin 6 (IL-6) and IL-8 released. Microarray analysis identified 15 miRNAs that were differentially expressed in octanal-exposed A549 human alveolar cells. ANIMAL STUDIES: It induced a significant decrease in the number of live pups in rats but only at a dose which causes maternal toxicity. Octanal was tested in Salmonella typhimurium TA98, TA100, TA1535 and TA1537 with and without metabolic activation. No cytotoxic or genotoxic effects were observed. ECOTOXICITY STUDIES: A membrane damage mechanism involving membrane peroxidation might contribute to the antifungal activity of octanal against P. digitatum spores. Aflatoxin production by the fungus Aspergillus parasiticus was stimulated by octanal.

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Interactions
The effects of 16 aliphatic aldehydes with 3-10 carbons on the growth and patulin production of Penicillium expansum were examined. When P. expansum spores were inoculated into apple juice broth, some alkenals, including 2-propenal, (E)-2-butenal, (E)-2-pentenal, and (E)-2-hexenal, inhibited fungal growth and patulin production. Their minimal inhibitory concentrations were 5, 50, 80, and 80 ug/mL respectively. Vital staining indicated that these alkenals killed mycelia within 4 hr. Treatment of the spores with these aldehydes also resulted in rapid loss of germination ability, within 0.5-2 d. On the other hand, aliphatic aldehydes with 8-10 carbons significantly enhanced patulin production without affecting fungal growth: 300 ug/mL of octanal and 100 ug/mL of (E)-2-octenal increased the patulin concentrations in the culture broth by as much as 8.6- and 7.8-fold as compared to that of the control culture respectively. The expression of the genes involved in patulin biosynthesis in P. expansum was investigated in mycelia cultured in apple juice broth containing 300 ug/mL of octanal for 3.5, 5, and 7 d. Transcription of the msas gene, encoding 6-methylsalicylic acid synthase, which catalyzed the first step in the patulin biosynthetic pathway was remarkably high in the 3.5-d and 5-d-old cultures as compared with the control. However, octanal did not any increase the transcription of the msas in the 7-d-old culture or that of the other two genes, IDH and the peab1, in culture. Thus the enhanced patulin accumulation with supplementation with these aldehydes is attributable to the increased amount of the msas transcript.

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Non-Human Toxicity Values
LD50 Rabbit dermal 6350 mg/kg
LD50 Rat oral 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.

N-octylaldehyde is a colorless liquids with a strong fruity odor. Less dense than water and insoluble in water. Flash points 125 °F. Used in making perfumes and flavorings.
Octanal is a saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). It has a role as a plant metabolite. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde.
Octanal has been reported in Camellia sinensis, Humulus lupulus, and other organisms with data available.
Octanal is a metabolite found in or produced by 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.)