CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Watery colorless liquid with a weak alcohol odor. Floats on water. (USCG, 1999) |
|---|---|
| Color/Form | Colorless liquid |
| Odor | Fragrant |
| Taste | PUNGENT, SPICY TASTE |
| Boiling Point | 349 °F at 760 mmHg (USCG, 1999) |
| Melting Point | -29 °F (USCG, 1999) |
| Flash Point | 170 °F (USCG, 1999) |
| Solubility | Miscible with alcohol, ether |
| Density | 0.822 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Density | Relative vapor density (air = 1): 4.01 |
| Vapor Pressure | 0.21 [mmHg] |
| LogP | Log Kow = 2.62 |
| Henry's Law Constant | Henry's Law constant = 1.88X10-5 atm-cu m/mol at 25 °C |
| Autoignition Temperature | 275 °C |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Viscosity | 7.4 centapoise at 20 °C |
| Heat of Combustion | 4637.9 kJ/mol at 298.15 deg K (liquid); 4704.8 kJ/mol at 298.15 deg K (gas) |
| Heat of Vaporization | 66.81 kJ/mol at 25 °C |
| Odor Threshold | Odor Threshold Low: 0.06 [mmHg] [Hawley] Odor threshold (recognition) from CHEMINFO |
| Refractive Index | Index of refraction: 1.4249 at 20 degC/D |
| Kovats Retention Index | 929 951.8 958 959 960 963 949 952.2 953.3 954 974 974 974 949 953.2 950 951 953 956 960 942 951.6 933.2 939.6 952.8 954.9 981 950 938 950 951 960 966 955 955 972 972 959 961 953 956 958 960 945 955 950 951 953 946 961 960 953 947 960 953 953 955 954.4 947 951 952.8 953 959.9 957 957 957 953 955 957 952 952.2 952.4 952.9 956.4 951 951 967 953 955 953 955 951 973 980 960 960 944.8 949 959.5 959.5 959 949 950 957 957.7 958.2 959 959.5 957.7 958.2 959 959.5 951 964 968 954 957 957 960 949 949 950 952 960 962 949 949 945 945 949 950 950 950 956 |
| Other Experimental Properties | Water solutions are colloidal |
| Chemical Classes | Solvents -> Alcohols (<C12) |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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 | 116.20 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 116.120115130 g/mol |
| Monoisotopic Mass | 116.120115130 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 35.4 |
| 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
Watery colorless liquid with a weak alcohol odor. Floats on water. (USCG, 1999)