CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | White flakes; [Sigma-Aldrich MSDS] |
---|---|
Boiling Point | 318.00 to 320.00 °C. @ 760.00 mm Hg |
Melting Point | 48 °C |
Kovats Retention Index | 1875 1878 1890 1883 1889 1885 1889 1890 1886.8 1887.5 1891.1 1882 1881 1883 1871 1871 1887 1876 1883 1875 1884 1881 1891 1885 |
Chemical Classes | Other Classes -> Aliphatic Ketones, Other |
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral 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. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P330:Rinse mouth. P362:Take off contaminated clothing and wash before reuse. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 254.5 g/mol |
---|---|
XLogP3 | 7.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 14 |
Exact Mass | 254.260965704 g/mol |
Monoisotopic Mass | 254.260965704 g/mol |
Topological Polar Surface Area | 17.1 Ų |
Heavy Atom Count | 18 |
Formal Charge | 0 |
Complexity | 174 |
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
Heptadecan-2-one is a ketone.