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999-78-0

999-78-0 structural image
Product Name: 4,4-Dimethyl-2-pentyne
Formula: C7H12
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 640.3

SAFETY INFORMATION

Pictogram(s)

Flame
Flammables
GHS02

Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H304:Aspiration hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P243:Take precautionary measures against static discharge.
P315:Get immediate medical advice/attention.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P403:Store in a well-ventilated place.

COMPUTED DESCRIPTORS

Molecular Weight 96.17 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 96.093900383 g/mol
Monoisotopic Mass 96.093900383 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 101
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