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39761-57-4

39761-57-4 structural image
Product Name: TRANS-3,4,4-TRIMETHYL-2-PENTENE
Formula: C8H16
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 112 °C
Flash Point Flash point < 21 °C
Solubility Soluble in ethanol
Density 0.735 g/cu cm @ 25 °C
Vapor Density 3.87 (AIR= 1)
Autoignition Temperature 617 °F (325 °C)
Kovats Retention Index 751 752 752 752
Chemical Classes Other Classes -> Aliphatics, Unsaturated

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H225:Flammable liquids
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.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P243:Take precautionary measures against static discharge.
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.
P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 112.21 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 112.125200510 g/mol
Monoisotopic Mass 112.125200510 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 91.1
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes