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560-21-4

560-21-4 structural image
Product Name: 2,3,3-TRIMETHYLPENTANE
Formula: C8H18
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid; [Aldrich MSDS]
Vapor Pressure 27.0 [mmHg]
Kovats Retention Index 755.4 763.09 747 720.6 761.3 761.4 761.4 761.4 761.4 755 757 756.9 757 747 759.95 762.11 764.53 767.27 769.65 755 757 762 758 767 759 756 750.3 762 761 744.8 752.2 757 756 750 749 759
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.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P273:Avoid release to the environment.
P331:Do NOT induce vomiting.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 114.23 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 2
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 60.4
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

2,3,3-trimethylpentane is a branched alkane that is pentane carrying one methyl group at positions 2, and two methyl groups at position 3. It has a role as a human metabolite, a bacterial metabolite and a mammalian metabolite. It is an alkane and a volatile organic compound.