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4312-99-6

4312-99-6 structural image
Product Name: 1-Octen-3-one
Formula: C8H14O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless liquid; [Alfa Aesar MSDS]
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
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
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.