CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colorless liquid; [Alfa Aesar MSDS] |
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Boiling Point | 59.00 to 60.00 °C. @ 16.00 mm Hg |
Solubility | insoluble in water; miscible in oils |
Density | 0.813-0.819 |
Refractive Index | 1.428-1.439 |
Kovats Retention Index | 956 956 958 957 954 947 958 962 953 961 966 954 980 952 956 960 960 959 953 956 956 949 953 955 952 952 952 958 959 953 |
Chemical Classes | Other Classes -> Aliphatic Ketones, Other |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H317:Sensitisation, Skin |
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. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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. |
COMPUTED DESCRIPTORS
Molecular Weight | 126.20 g/mol |
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XLogP3 | 2.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 5 |
Exact Mass | 126.104465066 g/mol |
Monoisotopic Mass | 126.104465066 g/mol |
Topological Polar Surface Area | 17.1 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 94.7 |
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
1-Octen-3-one is an olefinic compound. It is functionally related to an acrylic acid.