2-Phenylethanol (Phenethyl alcohol) is an aromatic alcohol with a rose-like odor. 2-Phenylethanol is a flavoring and fragrance compound that is used as a preservative and antimicrobial agent. 2-Phenylethanol has antityrosinase and anti-bacterial effect.

Physicochemical Properties

Molecular Formula	C8H10O
Molecular Weight	122.17
Exact Mass	122.073
CAS #	60-12-8
Related CAS #	2-Phenylethanol-d4;107473-33-6;2-Phenylethanol-d9;42950-74-3;2-Phenylethanol-d5;35845-63-7
PubChem CID	6054
Appearance	Colorless to light yellow liquid
Density	1.0±0.1 g/cm3
Boiling Point	218.2±8.0 °C at 760 mmHg
Melting Point	−27 °C(lit.)
Flash Point	102.2±0.0 °C
Vapour Pressure	0.1±0.5 mmHg at 25°C
Index of Refraction	1.536
LogP	1.36
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	9
Complexity	65
Defined Atom Stereocenter Count	0
SMILES	O([H])C([H])([H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H]
InChi Key	WRMNZCZEMHIOCP-UHFFFAOYSA-N
InChi Code	InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Chemical Name	2-phenylethanol
Synonyms	Phenylethyl alcohol NSC 406252 NSC 406252 NSC406252 NSC-406252
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	2-Phenylethanol activates preservatives in soap and additives for cigarettes [1]. 2. Phenylethyl alcohol inhibits the growth of dyes that are Gram-negative [1].
ln Vivo	In mice, 2-phenylethanol (5%; breathed) decreases depressive-like behavior and enhances anxiety-like behavior [3]. Inhalation of 2-phenylethanol (2-PE) in mice decreased immobility time in the tail suspension test, suggesting an anti-depressive-like effect. However, in the open field test, mice spent less time in the center area, indicating increased anxiety-like behavior. No changes were observed in cognitive function, activity level, muscle strength, or aggression. In the elevated plus maze test, no significant difference was observed in the percentage of open arm entries or time spent in open arms compared to control. In the Y-maze test, no significant difference was observed in spatial working memory. In the sucrose preference test, no change in sucrose consumption was observed, indicating no effect on anhedonia-like behavior. In the Porsolt forced swim test, no significant difference in immobility time was observed compared to control.
Animal Protocol	Animal/Disease Models: 11weeks old male mice (C57BL/6) [3] Doses: 5% (v/v) Route of Administration: inhalation; Experimental Results:It exerts an antidepressant-like effect, but may increase anxiety-like behaviors. Male C57BL/6 mice (11 weeks old) were used. 2-phenylethanol was diluted to 5% (v/v) in 1% Tween 80 and impregnated into absorbent cotton placed in a sealed container. Mice were exposed to 2-PE vapor for 15 minutes in a three-layer cage system before behavioral tests. Control mice were exposed to 1% Tween 80 only. Behavioral tests included: odor preference test, elevated plus maze, open field test, Y-maze test, tail suspension test, Porsolt forced swim test, sucrose preference test, grip strength test, and cotton bud biting test. All tests were performed during the light phase, with at least one day between tests. Apparatus was cleaned with 70% ethanol and super-oxidized hypochlorous acid between trials.
ADME/Pharmacokinetics	Metabolism / Metabolites 2-PHENYLETHANOL YIELDS PHENYLACETYLALDEHYDE IN RABBITS: SMITH JM ET AL, BIOCHEM J, 56, 320, 1954. /FROM TABLE/ Phenylethyl alcohol is oxidized almost entirely to the corresponding acid. Metabolites excreted in urine following oral doses of 0.2 to 0.3 g/kg to rabbits were phenaceturic acid, the glycine conjugate of phenylacetic acid, 42%; glucosidurinic acid, 5%; and an ether-soluble acid, probably phenylacetic acid, 19%. Only 66% of the original dose could be accounted for. /Phenylethyl alcohol/ ... beta-Phenylethyl alcohol is a substrate for ADH, with an initial rate of oxidation nearly as high as that of allyl alcohol and appreciably greater than that of ethanol.
Toxicity/Toxicokinetics	Toxicity Data LC50 (rat) > 500 mg/m3 Non-Human Toxicity Values LD50 Mouse oral 0.8-1.5 g/kg LD50 Guinea pig oral 0.4-0.8 g/kg LD50 Rat oral 1.79 and 2.46 g/kg LD50 Mouse ip injection 0.4-0.8 g/kg For more Non-Human Toxicity Values (Complete) data for 2-PHENYLETHANOL (7 total), please visit the HSDB record page.
References	[1]. Antityrosinase and antimicrobial activities of 2-phenylethanol, 2-phenylacetaldehyde and 2-phenylacetic acid. Food Chemistry 124 (2011) 298-302. [2]. Biotechnological production of 2-phenylethanol. Appl Microbiol Biotechnol. 2002 Jun;59(1):1-8. [3]. Anti-depressive-like effect of 2-phenylethanol inhalation in mice. Biomed Pharmacother. 2019 Mar:111:1499-1506.
Additional Infomation	2-phenylethanol is a primary alcohol that is ethanol substituted by a phenyl group at position 2. It has a role as a fragrance, a Saccharomyces cerevisiae metabolite, a plant metabolite, an Aspergillus metabolite and a plant growth retardant. It is a primary alcohol and a member of benzenes. An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery. 2-Phenylethanol has been reported in Francisella tularensis, Camellia sinensis, and other organisms with data available. 2-phenylethanol is a metabolite found in or produced by Saccharomyces cerevisiae. An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery. See also: Moringa oleifera leaf oil (part of). Therapeutic Uses Anti-Infective Agents, Local; Disinfectants; Preservatives, Pharmaceutical Phenylethyl alcohol ... has been used in 0.5% conc as an antibacterial agent in ophthalmic solutions. /Phenylethyl alcohol/ 2-phenylethanol is the main odor component of rose oil. It has been traditionally used in aromatherapy for psychiatric disorders, but its scientific basis was unclear. This study suggests that inhalation of 2-PE may have anti-depressive effects mediated via the olfactory system, though it may also induce anxiety-like behavior in certain contexts. The study also notes that the effects of rose oil and 2-PE may vary depending on concentration, duration of exposure, and administration method.

Solubility Data

Solubility (In Vitro)	H2O : ~20 mg/mL (~163.72 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 50 mg/mL (409.30 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	8.1853 mL	40.9266 mL	81.8532 mL
	5 mM	1.6371 mL	8.1853 mL	16.3706 mL
	10 mM	0.8185 mL	4.0927 mL	8.1853 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.