CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless viscous liquid; [ICSC] Clear light yellow liquid; [Sigma-Aldrich MSDS] |
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Boiling Point | 162.00 to 164.00 °C. @ 760.00 mm Hg |
Melting Point | -5.5 °C (cis-isomer) |
Flash Point | 62 °C c.c. |
Density | Relative density (water = 1): 0.92 |
Autoignition Temperature | 295 °C |
Kovats Retention Index | 950 943 947 947 950 947 |
Chemical Classes | Solvents -> Alcohols (<C12) |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 114.19 g/mol |
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XLogP3 | 1.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 0 |
Exact Mass | 114.104465066 g/mol |
Monoisotopic Mass | 114.104465066 g/mol |
Topological Polar Surface Area | 20.2 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 70.8 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |