Absorption, Distribution and Excretion
This study investigated the in vitro transdermal absorption of 3-phenyl-1-propanol on human skin using a diffusion cell. Skin samples with a thickness of approximately 280 μm were obtained from the abdominal skin of individuals undergoing cosmetic surgery. Skin samples were sectioned, fixed with 4% formaldehyde, and then embedded in paraffin. 3-phenyl-1-propanol (working concentration 5.0 mg/mL) was dissolved in a buffer solution to a concentration approximately 75% of its solubility in the medium. This solution was used to fill the donor chamber, while the acceptor chamber was filled with a buffer solution at pH 7.4. The experiment was conducted at 37 °C. The diffusion cell was placed in a constant-temperature water bath. The experiment lasted for 7 hours. Samples were taken from the acceptor chamber every 30 minutes, and the extracted sample was replaced with the buffer solution. The samples were analyzed using a gas chromatograph equipped with a flame ionization detector. According to reports, the average permeability coefficient of 3-phenyl-1-propanol is 52.35 +/- 4.98 Kp [cm/hour], and the flow rate is 1.18 +/- 0.11 J [mg/hour].

Toxicity Summary
Identification and Uses: 3-Phenylacetol is a colorless liquid. It smells like hyacinth and tastes like apricot. It is found in many fruits and berries, cinnamon, and certain types of balms. 3-Phenylacetol is also found in tobacco smoke. 3-Phenylacetol is commonly used as a fragrance in products such as antiperspirants, creams/lotions, lipsticks, talcum powder, sheet soaps, shampoos, conditioners, shower gels/body gels, laundry detergents, fabric softeners, candles, and aromatherapy. It is also used in floral perfumes to give them a balsamic and oriental character. Currently, it is not registered as a pesticide in the United States, but approved pesticide uses may change periodically, so it is essential to consult federal, state, and local authorities for currently approved uses. Human Exposure and Toxicity: In a multicenter study, patch tests were performed on 218 fragrance-sensitive patients with confirmed contact dermatitis. In patients with fragrance sensitivity, a reaction was observed (0.9%) with a 5% 3-phenylpropanol petrolatum solution. Animal studies: Rats administered 1.31, 2.56, and 5.0 g/kg body weight of 3-phenylpropanol orally died within the first 2 days. Observed clinical signs included mild somnolence and hypotonia. In a preliminary screening for acute oral toxicity, 10 rats were orally administered a 50% 3-phenyl-1-propanol corn oil solution at a dose of 5 g/kg body weight, of which 9 (9/10) died. In another study, rats were orally administered a 50% 3-phenylpropanol corn oil solution by gavage at doses of 1.47, 2.15, 3.16, and 4.64 g/kg body weight. One death occurred in the 1.47 g/kg dose group; one death also occurred in the 2.15 g/kg and 4.64 g/kg dose groups. Clinical symptoms observed during the study included depression, bradyventricular contractions, ataxia, and piloerection. Gross examination during necropsy revealed dark red areas in the lungs of the lower three dose groups, while the lungs of the highest dose group were entirely dark red. In a rabbit irritation study, 3-phenylpropanol was applied as a occlusive dressing at doses of 2.5 and 5 g/kg for 24 hours. Moderate erythema and mild to moderate edema were observed in the 2.5 g/kg dose group; moderate to severe erythema and moderate edema were observed in the 5 g/kg dose group. In another rabbit study, 3-phenyl-1-propanol was applied as a occlusive dressing at a dose of 5 g/kg to rabbit skin for 24 hours. Moderate to severe erythema, severe edema, desquamation, and necrosis were observed. Applying 0.5 mL of 3-phenylpropanol to intact and abraded skin and occlusively dressing rabbit skin for 24 hours resulted in moderate irritation and necrosis. No mutagenicity or genotoxicity was observed in bacterial and mammalian cell line assays.

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Non-human toxicity values
Rabbit skin LD50 <5.0 g/kg
Rabbit skin LD50 5000 mg/kg
Rats oral LD50 2300 mg/kg

3-Phenylon-1-propanol is a monocyclic aromatic hydrocarbon. It has been reported to exist in Swertia japonica, Sapodilla julibrissin, and other organisms with relevant data.

C9H12O

136.19

136.088

122-97-4

31234

Colorless liquid
Slightly viscous, colorless liquid

1.0±0.1 g/cm3

235.8±9.0 °C at 760 mmHg

−18 °C(lit.)

109.4±0.0 °C

0.0±0.5 mmHg at 25°C

1.528

1.88

1

1

3

10

74.8

0

O([H])C([H])([H])C([H])([H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H]

VAJVDSVGBWFCLW-UHFFFAOYSA-N

InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

3-phenylpropan-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)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

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Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).

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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline)

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Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).

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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders

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Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

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