Hexadiene
Basic information
- CAS
42296-74-2- Standard SMILES
C=CC=CCC- InChIKey
AHAREKHAZNPPMI-UHFFFAOYSA-N- Molecular formula
- C6H10
- Average molar mass
- 82.14 g/mol
- Monoisotopic mass
- 82.07825032
Overview
Hexadiene appears as a clear colorless liquid with a petroleum-like odor. Less dense than water and insoluble in water. Hence floats on water. Vapors heavier than air.
Names & identifiers
- Preferred name
- Hexadiene
- IUPAC
- hexa-1,3-diene
- English name
- 1,5-Hexadiene
- Molecular formula
- C6H10
- Molecular weight
- 82.14
Names & synonyms
42296-74-2RefChem:786068DTXSID701053433HEXADIENEhexa-1,3-dienen-Hexadien1,a3-aHexadieneSCHEMBL20053SCHEMBL22112SCHEMBL29274SCHEMBL120940SCHEMBL122477
Show more names
DIALLYLBIALLYLHEXADIENES1,5-Hexadiene
SCHEMBL161162SCHEMBL247521SCHEMBL833539SCHEMBL835439SCHEMBL835803SCHEMBL4109891SCHEMBL4664085SCHEMBL4665457
Database identifiers
- CAS
42296-74-2、592-48-3- PubChem CID
- 11602
- DTXSID
DTXSID00870644
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 51.1
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physical DescriptionHexadiene appears as a clear colorless liquid with a petroleum-like odor. Less dense than water and insoluble in water. Hence floats on water. Vapors heavier than air.
Physicochemical properties
- Melting point
- 141 °C · −141 °C(lit.)
- Boiling point
- 60 °C · 60 °C(lit.)
- Density
- 0.692 g/mL · 0.692 g/mL at 25 °C(lit.)
- vapor pressure
- 367 mm · 367 mm Hg ( 37.7 °C)
- refractive index
- 20 · n20/D 1.404(lit.)
- Flash point
- 17 °F · −17 °F
- CAS DataBase Reference
- 42296 · 42296-74-2(CAS DataBase Reference)
- EPA Substance Registry System
- Hexadiene (42296-74-2)
- Hazard Codes
- F,Xn
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
DOT ID and Guide2458 130
Reactive GroupConjugated Dienes
Reactivity AlertsHighly Flammable
Reactivity Profile
HEXADIENE may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas. In the presence of various catalysts (such as acids) or initiators, may undergo exothermic addition polymerization reactions. May undergo autoxidation upon exposure to the air to form explosive peroxides. Violent explosions at low temperatures in ammonia synthesis units have been traced to the addition products of dienes and nitrogen dioxide [Bretherick, 5th Ed., 1995].
Air and Water ReactionsHighly flammable. Insoluble in water.
Safety & protection
Fire FightingExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Chemistry & industry
Applications
General DescriptionA clear colorless liquid with a petroleum-like odor. Flash point below 0°F. Less dense than water and insoluble in water. Hence floats on water. Vapors heavier than air.
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Compound notes
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