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563-16-6

563-16-6 structural image
Product Name: 3,3-DIMETHYLHEXANE
Formula: C8H18
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid; [Aldrich MSDS]
Boiling Point 111.90 °C. @ 760.00 mm Hg
Melting Point -126.1 °C
Vapor Pressure 28.6 [mmHg]
Kovats Retention Index 741.6 735.27 735.71 739.2 736.36 736.45 743 739 735 738.6 741.1 738.3 737 737 742.8 742.9 743 743 743 743 741.2 744 739 741 743 740.4 741.2 741.8 742.9 738 739 740 741 742 743 742.9 743 735 744.29 745.86 747.6 749.57 751.28 742 743 746 742 743 748 744 745 776 728.2 733.6 739 738.6 737.2 738 740 737 744 741 741 743
Chemical Classes Solvents -> Aliphatics, Saturated (<C12)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H225:Flammable liquids
H304:Aspiration hazard
H315:Skin corrosion/irritation
H336:Specific target organ toxicity,single exposure; Narcotic effects
H410:Hazardous to the aquatic environment, long-term 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.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P391:Collect spillage. Hazardous to the aquatic environment
P370+P378:In case of fire: Use … for extinction.
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 114.23 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 3
Exact Mass 114.140850574 g/mol
Monoisotopic Mass 114.140850574 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 53.1
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

3,3-dimethylhexane is an alkane that is hexane in which the two methylene hydrogens at position 3 have been replaced by methyl groups.