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2216-33-3

2216-33-3 structural image
Product Name: 3-METHYLOCTANE
Formula: C9H20
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear colorless liquid; [Sigma-Aldrich MSDS]
Vapor Pressure 6.25 [mmHg]
Kovats Retention Index 873.5 871.4 863.4 869.6 870.74 870.98 872 872 872.35 872.61 872.89 871 869 872.1 874 869 870 870 872.2 872.3 869 871 871 872 876 874 874 871.9 874 870.7 870 871 869.5 871 873.1 873 865.7 867 873.5 880 872 872 872 871 874 872 872
Chemical Classes Solvents -> Aliphatics, Saturated (<C12)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Health Hazard
GHS08
GHS Hazard Statements H226:Flammable liquids
H304:Aspiration hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P370+P378:In case of fire: Use … for extinction.
P405:Store locked up.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 128.25 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 5
Exact Mass 128.156500638 g/mol
Monoisotopic Mass 128.156500638 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 48
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes