Absorption, Distribution and Excretion
In vitro experiments showed that sage essential oil (linalyl acetate, 26.8%) could penetrate the buccal mucosa of pigs. /Sage Essential Oil (Linalyl Acetate, 26.8%)/
This study investigated the transdermal absorption of a massage oil containing lavender essential oil applied to the skin of a 34-year-old male subject. Within 5 minutes of application, traces of the main components of lavender essential oil—linalool and linalyl acetate—were detected in the blood. After 20 minutes, the concentrations of linalyl acetate and linalool reached their maximum values of 100 ng/mL and 121 ng/mL, respectively. Within 90 minutes, most of the lavender essential oil was excreted. The study concludes that lavender oil can be rapidly absorbed by the skin and excreted within 90 minutes.
Metabolism/Metabolites Esters are easily hydrolyzed by carboxylesterases or esterases. In vitro experiments have confirmed that linalyl acetate can be hydrolyzed in rat blood and liver preparations. It is expected to be readily hydrolyzed in vivo as well. Acetic acid is a normal component of the human body. The metabolic pathway of linalool is known, primarily through glucuronic acid conjugation and excretion. In neutral gastric juice, linalyl acetate undergoes slow hydrolysis (half-life = 121 min) to produce a mixture of linalool and its closed-ring isomer, α-terpineol. In acidic simulated gastric juice, linalyl acetate undergoes rapid hydrolysis (half-life < 5 min) to produce linalool, which rapidly rearranges to α-terpineol. In intestinal juice with or without pancreatic enzymes, the hydrolysis rate of linalyl acetate is slower (half-life 153–198 min). Linalyl acetate can also be hydrolyzed in rat intestinal mucosa, blood, and liver homogenates, but at a much lower rate than in acidic gastric juice (hydrolysis rate constant k = 0.01–0.0055/min, compared to >5/min in gastric juice). Based on these observations, it can be concluded that linalyl acetate hydrolyzes in gastric juice to linalool, which then rapidly cyclizes to α-terpineol. The hydrolysis reaction occurs more rapidly at the low pH of gastric juice. The reaction products are linalool and acetic acid (ester hydrolysis). Hydrolysis studies support this conclusion… hydrolysis was observed at pH 4, 7, and 9. Therefore, it is expected that linalool will enter systemic circulation after oral administration of linalyl acetate. Linalool may be converted to geraniol and its metabolites, such as 1,5-dimethylhexadiene-1,6-dicarboxylic acid and 7-carboxy-5-methyloct-6-enoic acid… The transdermal absorption of the main components of lavender oil was measured in a male subject. Blood levels of linalool and linalyl acetate were monitored over 90 minutes after use of a massage oil containing lavender oil and peanut oil (2:98 ratio). This lavender oil contains 24.79% linalool and 29.59% linalyl acetate. A 1500 mg sample of lavender oil was gently massaged for 10 minutes and applied to a 376 cm² area of the abdomen of a 60 kg male volunteer. Blood samples were drawn from the left antecubital vein at 0, 5, 10, 15, 20, 30, 45, 60, 75, and 90 minutes. Heparin was added to the blood samples, and the plasma was separated by centrifugation and stored for analysis. Linalyl acetate was rapidly absorbed; trace amounts were detectable in the blood 5 minutes after the massage ended. The peak plasma concentration was reached at 19 minutes, with a mean plasma concentration of 121 ng/mL. Most of the linalyl acetate disappeared from the blood within 90 minutes, with a biological half-life of 14.3 minutes. Linalyl acetate was hydrolyzed in gastric and pancreatic juices, with mean half-lives of 5.5 minutes and 52.6 minutes, respectively…

Toxicity Summary
Identification and Uses: Linaloyl acetate is a clear, colorless, oily liquid. It is an excellent fragrance ingredient and is also used in soaps, detergents, and food additives. It is a component of oil paints and is also used as an alternative to extracts and bitter orange leaf oil. Human Exposure and Toxicity: A 33% linaloyl acetate acetone solution was applied to the back of male volunteers with no known history of allergies. After 48 hours of occlusive dressing, no irritation was observed within 120 hours after dressing removal. Linaloyl acetate is a component of lavender oil and may cause allergic reactions. Oxidized linaloyl acetate may be a common fragrance contact allergen. The potential genotoxicity of linaloyl acetate has been assessed in vitro using a peripheral blood lymphocyte micronucleus assay. Within the non-toxic concentration range (0.5–100 μg/mL), linaloyl acetate significantly and in a concentration-dependent manner increased the frequency of micronuclei. In a human lymphocyte chromosome aberration assay, linaloyl acetate did not induce chromosomal aberrations, regardless of the addition of the S-9 mixture. Animal experiments: After inhaling 2.74 mg/L linalyl acetate air for 90 minutes, mice showed decreased motor activity compared to the untreated control group. The decrease in motor activity was more significant in 6-8 week old mice (up to 100%), while the decrease in motor activity in 6-month-old mice was up to 81%. Simultaneous application of linalyl acetate (3 mg dissolved in 0.1 mL acetone) and benzo[a]pyrene to the skin of mice resulted in a slight increase in the number of skin papillomas and carcinomas compared to the benzo[a]pyrene control group. The Ames test was performed on Salmonella Typhimurium strains TA97, TA98, TA100, TA1535, and TA102 to investigate the mutagenicity of linalyl acetate under activated and unactivated conditions. The results showed that linalyl acetate was not mutagenic in this test. In vitro unprogrammed DNA synthesis (UDS) assays on primary rat hepatocytes at concentrations up to 300 nL/mL of linalyl acetate were negative. Ecotoxicity studies: In a 96-hour flow-through test, carp (Cyprinus carpio) were exposed to linalyl acetate at nominal concentrations of 10, 18, 32, 56, and 100 mg/L. The mean concentrations obtained were 7.9, 12.3, 20.1, 27.3, and 27.2 mg/L, respectively. At the highest concentrations (32 mg/L and above), all fish died. Reduced swimming activity, loss of balance, and/or immobility were observed at all concentrations.

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Toxicity Data
LC50 (Mice)> 1,028 mg/m3/4h

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Interactions
In Swiss mice (ICR/Ha), linalyl acetate (3 mg dissolved in 0.1 mL acetone) was co-administered with 5 μg benzo[a]pyrene to the skin three times a week for 67 weeks, resulting in a slight increase in the number of skin papillomas and carcinomas compared to the benzo[a]pyrene control group…
This study investigated the sedative effects of lavender (Lavandula angustifolia Miller) essential oil and its main components—linalool and linalyl acetate—in mice through a series of experimental procedures. Under standardized experimental conditions, the activity levels of both female and male experimental animals were significantly reduced, and this reduction was closely related to the duration of drug exposure. However, hyperactivity was observed in mice after injection of caffeine, and only inhalation of these aromatic drugs could restore their activity levels to near-normal levels. ...

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Non-human toxicity values
Oral LD50 in rats: 14,550 mg/kg
Intraperitoneal LD50 in rats: 2864 mg/kg (95% CI 2414-3399 mg/kg)
Intraperitoneal LD50 in female rats: 2984 mg/kg (95% CI 2293-3884 mg/kg)
Intraperitoneal LD50 in male rats: 2778 mg/kg (95% CI 2246-3435 mg/kg)
For more complete non-human toxicity data for linalyl acetate (6 types), please visit the HSDB record page.

[1]. Anti-inflammatory activity of linalool and linalyl acetate constituents of essential oils,Phytomedicine. 2002 Dec;9(8):721-6.

3,7-Dimethyloctyl-1,6-dien-3-yl acetate is a monoterpenoid compound and an acetate of linalool. It is a major component of bergamot and lavender essential oils. It is both an acetate and a monoterpenoid compound, functionally related to linalool. Linaloacetate has been reported in angelica, magnolia bark, and other organisms with relevant data. It is also found in cardamom. Linaloacetate can be isolated from various plants and essential oils, such as clary sage, lavender, and lemon. Linaloacetate is a flavoring agent and a naturally occurring phytochemical found in many flowers and aromatic plants. It is one of the major components of bergamot and lavender essential oils. Chemically, it is an acetate of linalool, and the two often coexist. Linalool is a metabolite of Saccharomyces cerevisiae. See also: Clary sage oil (partial components).

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Mechanism of Action
In preliminary experiments, ... lavender essential oil can relax vascular smooth muscle. Therefore, this experiment aims to investigate the vasodilatory mechanism of linalyl acetate, the main component of lavender essential oil, in rabbit carotid artery specimens. Linalyl acetate produces a sustained and gradual vasodilatory effect during phenylephrine-induced contraction. The vasodilatory effect of linalyl acetate at concentrations close to EC50 can be partially but significantly attenuated by nitric oxide synthase inhibitor nitroarginine, guanylate cyclase inhibitor 1H-(1,2,4)oxadiazolo[4,3-a]quinoxalin-1-one, or endothelial cell ablation. In endothelial-ablated specimens, phenylephrine-induced contraction and myosin light chain (MLC) phosphorylation were significantly attenuated after linalyl acetate pretreatment. In endothelial-ablated specimens, the vasodilatory effect induced by linalyl acetate can be significantly inhibited by the MLC phosphatase inhibitor calicline A, but is not affected by the MLC kinase inhibitor ML-9. Furthermore, pretreatment with caliculin A eliminated the inhibitory effects of phenylephrine-induced contraction and MLC phosphorylation on linalyl acetate. These results indicate that linalyl acetate relaxes vascular smooth muscle by partially activating the nitric oxide/cyclic guanosine monophosphate pathway and partially activating MLC phosphatase, thereby dephosphorylating MLC.

C12H20O2

196.29

196.146

115-95-7

8294

Colorless to light yellow liquid

0.9±0.1 g/cm3

220.0±0.0 °C at 760 mmHg

85°C

90.0±0.0 °C

0.1±0.4 mmHg at 25°C

1.452

3.83

0

2

6

14

237

0

C=CC(C)(CCC=C(C)C)OC(=O)C

UWKAYLJWKGQEPM-UHFFFAOYSA-N

InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3

3,7-dimethylocta-1,6-dien-3-yl acetate

AI3-00941; FEMA No. 2636; Linalyl acetate

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 (~509.45 mM)
Ethanol : ~12.5 mg/mL (~63.68 mM)

Solubility in Formulation 1: ≥ 2.5 mg/mL (12.74 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 (12.74 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 (12.74 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.)