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92112-69-1

92112-69-1 structural image
Product Name: HEXANES, MIXTURE OF ISOMERS, FOR SPECTROSCOPY, 95+%
Formula: C6H14
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description N-hexane is a clear colorless liquids with a petroleum-like odor. Flash points -9 °F. Less dense than water and insoluble in water. Vapors heavier than air. Used as a solvent, paint thinner, and chemical reaction medium.
Color/Form Liquid
Odor Gasoline-like odor
Boiling Point 156 °F at 760 mmHg (NTP, 1992)
Melting Point -139 °F (NTP, 1992)
Flash Point -9.4 °F (NTP, 1992)
Solubility less than 1 mg/mL at 61.7 °F (NTP, 1992)
Density 0.659 at 68 °F (USCG, 1999) - Less dense than water; will float
Vapor Density 2.97 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 120 mmHg at 68 °F ; 180 mmHg at 77 °F (NTP, 1992)
LogP log Kow = 3.90
Autoignition Temperature 437 °F (USCG, 1999)
Decomposition When heated to decomposition it emits acrid smoke and fumes.
Viscosity 0.377 cP at 15 °C
Heat of Combustion 4163.2 kJ/mol
Heat of Vaporization 31.56 kJ/mol at 25 °C
Surface Tension 17.89 mN/m at 25 °C
Ionization Potential 10.18 eV
Odor Threshold Odor Threshold Low: 65.0 [mmHg] Odor Threshold High: 248.0 [mmHg] Odor threshold from AIHA
Refractive Index Index of refraction: 1.3727 at 25 °C
Kovats Retention Index 600
Other Experimental Properties Specific gravity: 0.6591 at 20 °C/4 °C
Chemical Classes Solvents -> Aliphatics, Saturated (<C12)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)
GHS02
Flame
Flammables
GHS02
GHS07
Exclamation Mark
Irritant
GHS07
GHS08
Health Hazard
GHS08
GHS09
Environment
GHS09
GHS Hazard Statements H225:Flammable liquids
H304:Aspiration hazard
H315:Skin corrosion/irritation
H336:Specific target organ toxicity,single exposure; Narcotic effects
H411: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.
P273:Avoid release to the environment.
P331:Do NOT induce vomiting.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

COMPUTED DESCRIPTORS

Molecular Weight 86.18 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 3
Exact Mass 86.109550447 g/mol
Monoisotopic Mass 86.109550447 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 12
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

n-Hexane is a chemical made from crude oil. Pure n-Hexane is a colorless liquid with a slightly disagreeable odor. It is highly flammable, and its vapors can be explosive. Puren-Hexane is used in laboratories. Most of then-Hexane used in industry is mixed with similar chemicals called solvents. The major use for solvents containing n-Hexane is to extract vegetable oils from crops such as soybeans. These solvents are also used as cleaning agents in the printing, textile, furniture, and shoemaking industries. Certain kinds of special glues used in the roofing and shoe and leather industries also contain n-Hexane. Several consumer products containn-Hexane, such as gasoline, quick-drying glues used in various hobbies, and rubber cement. .

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