CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless clear liquid; mild waxy aroma |
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Solubility | Very slightly soluble in water |
Density | 0.844-0.850 (20º) |
Refractive Index | 1.499-1.505 |
Kovats Retention Index | 1571.2 1570 |
SAFETY INFORMATION
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. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
Molecular Weight | 198.34 g/mol |
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XLogP3 | 5.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 10 |
Exact Mass | 198.198365449 g/mol |
Monoisotopic Mass | 198.198365449 g/mol |
Topological Polar Surface Area | 20.2 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 118 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
trans-2-Tridecen-1-ol is a natural product found in Houttuynia cordata with data available.