CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [Alfa Aesar MSDS] |
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Vapor Pressure | 3.04 [mmHg] |
Kovats Retention Index | 952.1 946.7 971.04 943.2 950.4 946.6 946.91 947 946.84 943.22 946.06 947.75 945 940.4 945 945.67 954.3 955.8 951 943 944 954 954 954.4 954.8 955.4 955 955 960 955 955 945 945.5 949 952 967 956 961 967 945 955.9 961.3 967 952 952 948.2 948.2 954 951 953 956 957 947.5 949 968.7 944 949.5 956 944.4 948.42 990.8 952 947 951.4 955 943 945 949 953 947 946 950 956 956 961 961 953 940 943 944 941 945 955 939 945 946.4 945 946 947 947 |
Chemical Classes | Solvents -> Aromatic Solvents |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H226:Flammable liquids |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. |
COMPUTED DESCRIPTORS
Molecular Weight | 120.19 g/mol |
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XLogP3 | 3.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 0 |
Rotatable Bond Count | 1 |
Exact Mass | 120.093900383 g/mol |
Monoisotopic Mass | 120.093900383 g/mol |
Topological Polar Surface Area | 0 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 76.1 |
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
3-ethyltoluene is a derivative of toluene bearing an additional ethyl substituent at position 3.