Benzenepropanol does not have a defined biological target as a therapeutic agent. It is an aromatic alcohol used as a fragrance ingredient, solvent, and chemical intermediate. The compound is not intended to exert pharmacological effects. Its utility lies in its physical and chemical properties.

Specific in vitro activity data for Benzenepropanol as a pharmacological agent are not documented in the literature. It is primarily used as a fragrance ingredient and chemical intermediate. The compound is not characterized for direct biological activities such as enzyme inhibition or receptor modulation. Its effects in biological systems are primarily related to its physical properties.

Benzenepropanol is not used for in vivo pharmacological activity assessment as a drug compound. It is a fragrance ingredient, solvent, and chemical intermediate. The compound is not intended to be administered for therapeutic purposes. Its presence in fragrance formulations is for its olfactory properties.

Benzenepropanol is not typically used in enzyme/receptor binding assays as a test compound. Its primary applications are as a fragrance ingredient and chemical intermediate. When used in research, it may serve as a standard for the analysis of aromatic compounds or as a starting material for organic synthesis.

Benzenepropanol is not used in cell-based assays as a test compound. Its primary applications are as a fragrance ingredient and chemical intermediate. The compound is not characterized for direct cellular effects. It may be used in studies of fragrance perception or as a control compound in analytical method development.

Benzenepropanol is not used in animal studies as a pharmacological agent. Its primary applications are as a fragrance ingredient, solvent, and chemical intermediate. The compound may be used in dermal safety studies to assess its irritation and sensitization potential. It is not administered as a test compound for efficacy evaluations.

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].

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Benzenepropanol has a molecular weight of 136.19 g/mol and a molecular formula of C₉H₁₂O. It is also known as 3-Phenylpropan-1-ol. The compound is a colorless liquid with a hyacinth-like odor. It is used as a fragrance ingredient, solvent, and chemical intermediate. It is typically stored under standard laboratory conditions.

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

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Benzenepropanol is intended for research and industrial use only and is not approved for human therapeutic applications. As a fragrance ingredient, it has been evaluated for safety in cosmetic products. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. The compound should be handled in well-ventilated areas with proper waste disposal procedures.

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.

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Benzenepropanol (3-Phenylpropan-1-ol) (CAS#: 122-97-4) has a molecular formula of C₉H₁₂O and a molecular weight of 136.19 g/mol. It is an aromatic alcohol used as a fragrance ingredient, solvent, and chemical intermediate. This compound is not a drug and has not undergone clinical trials.

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 ; < -18 °C

109.4±0.0 °C

0.0±0.5 mmHg at 25°C

1.528

Originated from microorganisms

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)

DMSO: ~100 mg/mL (~734.3 mM; with ultrasonication)

Solubility in Formulation 1: ≥ 2.5 mg/mL (18.36 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (18.36 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well.
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 (18.36 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well.

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