2-Phenylethanol - CAS 60-12-8

Catalog:	BB030599
Product Name:	2-Phenylethanol
CAS:	60-12-8
Synonyms:	Benzeneethanol; (2-Hydroxyethyl)benzene; 2-Phenethanol; 2-Phenyl-1-ethanol; Phenylethyl Alcohol; β-Phenethanol; β-Phenethyl Alcohol; β-Phenethylol; β-Phenylethanol; β-Phenylethyl Alcohol; NSC 406252; Phenethyl Alcohol

Technical Data

IUPAC Name:	2-phenylethanol
Description:	2-Phenylethanol is used as an antibacterial preservative in nasal, ophthalmic, and otic preparations. It is also used in flavors and as a perfumery component, especially in rose perfumes.
Molecular Weight:	122.16
Molecular Formula:	C8H10O
Canonical SMILES:	C1=CC=C(C=C1)CCO
InChI:	InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:	WRMNZCZEMHIOCP-UHFFFAOYSA-N
Boiling Point:	219 °C
Melting Point:	-27 °C
Flash Point:	102°C
Purity:	98%
Density:	1.02 g/cm³
Solubility:	Soluble in Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
Appearance:	Clear, colorless liquid
Storage:	Store at 2-8°C
MDL:	MFCD00002886
LogP:	1.22140
Refractive Index:	1.53-1.535
Stability:	Stable. Substances to be avoided include strong acids and strong oxidizing agents. Combustible.
Vapor Pressure:	1 mm Hg ( 58 °C)

GHS Hazard Statement:	H302 (81.1%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-11020349-B1	Transmucosal dosage forms of remdesivir	20200714
US-11013687-B1	Preventive and therapeutic treatment for COVID 19 and any other disease caused by SARS CoV 2	20200608
US-10980756-B1	Methods of treatment	20200316
US-11008322-B1	Method of synthesizing (1S,12bS) lactam ester compound	20200219
US-10869845-B1	Ephedrine compositions and methods	20200122

PMID	Publication Date	Title	Journal
32125059	20200701	A caffeic acid phenethyl ester analog inhibits the proliferation of nasopharyngeal carcinoma cells via targeting epidermal growth factor receptor	Journal of biochemical and molecular toxicology
31332898	20190901	Hydroxytyrosol prevents dermal papilla cells inflammation under oxidative stress by inducing autophagy	Journal of biochemical and molecular toxicology
29497947	20180901	Protective Effect of Hydroxytyrosol Against Oxidative Stress Mediated by Arsenic-Induced Neurotoxicity in Rats	Applied biochemistry and biotechnology
29597147	20180601	Caffeic acid phenethyl ester down-regulates claudin-2 expression at the transcriptional and post-translational levels and enhances chemosensitivity to doxorubicin in lung adenocarcinoma A549 cells	The Journal of nutritional biochemistry
29414845	20180207	Protective Effects of Olive Leaf Extract on Acrolein-Exacerbated Myocardial Infarction via an Endoplasmic Reticulum Stress Pathway	International journal of molecular sciences

Complexity:	65
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.073164938
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4