60-12-8
Product Name:
Phenethyl alcohol
Formula:
C8H10O
Synonyms:
PEA;2-Phenylethanol;2-Phenylethyl alcohol;Benzyl carbinol;β-PEA
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dry Powder, Liquid, Other Solid; Liquid |
|---|---|
| Color/Form | COLORLESS, VISCOUS LIQUID |
| Odor | CHARACTERISTIC ROSE-LIKE ODOR |
| Taste | INITIALLY SLIGHTLY BITTER TASTE THEN SWEET & REMINISCENT OF PEACH |
| Boiling Point | 218.2 °C |
| Melting Point | -27 °C |
| Flash Point | 102 °C |
| Solubility | 22200 mg/L (at 25 °C) |
| Density | 1.0202 AT 20 °C/4 °C |
| Vapor Density | 4.21 (AIR= 1) |
| Vapor Pressure | 0.08 [mmHg] |
| LogP | 1.36 |
| Autoignition Temperature | 410 °C |
| Viscosity | 7.58 centapoise @ 25 °C; 3.19 centpoise @ 50 °C |
| Odor Threshold | Odor Threshold Low: 7.02 [mmHg] [Hawley] Odor threshold (detection) from CHEMINFO |
| Refractive Index | INDEX OF REFRACTION: 1.5325 AT 20 °C/D |
| Collision Cross Section | 121.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 1082.4 1083.7 1144 1149 1139 1084 1080 1086 1080 1076.2 1081 1081 1081 1105 1090 1090 1091 1089 1089 1079 1080 1086 1086 1081 1086 1075 1080 1080 1080 1080 1083 1083 1102 1083 1099 1078 1090 1079.8 1080.4 1078 1092 1100 1095 1097 1096 1096 1124 1073.43 1074.6 1076.16 1078.09 1080.29 1082.78 1085.5 1088.47 1091.65 1095.04 1100 1091 1097 1120 1096 1105 1102 1092 1092 1084 1086 1092 1099 1099 1110 1102 1104 1105 1107 1104 1105 1101 1090 1090 1136 1090 1064 1082 1083 1092 1096 1093 1104 1064 1084 1081 1095 1074 1090 1090 1079 1080 1092 1079 1079 1093 1086 1084 1080.4 1076 1078 1078 1081 1096 1104 1088 1082 1076 1090 1092 1087 1089 1083 1092 1091 1112 1084.9 1087 1078 1095 1108 1091 1091 1080 1078 1078 1105 1088 1098 1080 1098 1089 1096 1104 1085 1104 1081 1081 1081 1081 1081 1082 1079 1080 1081 1081 1083 1104 1080 1148 1150 1101 |
| Other Experimental Properties | CONVERSION FACTORS: 1 MG/L IS EQUIVALENT TO 200.2 PPM & 1 PPM IS EQUIVALENT TO 500 MG/CU M AT 25 °C, 760 MM HG |
| Chemical Classes | Other Classes -> Alcohols and Polyols, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 122.16 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 122.073164938 g/mol |
| Monoisotopic Mass | 122.073164938 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 65 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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.