Basic information
- CAS
20237-34-7- Standard SMILES
C=C/C=C/CC- InChIKey
AHAREKHAZNPPMI-AATRIKPKSA-N- Molecular formula
- C6H10
- Average molar mass
- 82.14 g/mol
- Monoisotopic mass
- 82.07825032
Names & identifiers
- Preferred name
- 1,3-Hexadiene
- IUPAC
- (3E)-hexa-1,3-diene
Names & synonyms
1,3-HEXADIENE592-48-3cis,trans-Hexa-1,3-dieneEINECS 209-759-4DTXSID00870644Hexa1,3dieneRefChem:414996DTXCID808183471,3Hexadiene, mixture of cis and trans209-759-4(3E)-hexa-1,3-diene(E)-1,3-Hexadiene
Show more names
20237-34-7C2H5CH=CHCH=CH21,3-Hexadiene,c&t1,3-Hexadiene(c,t)1,3-Hexadiene cis + trans(3E)-1,3-Hexadiene #1,3-Hexadiene, (E)-1,trans-3-hexadiene
Database identifiers
- CAS
20237-34-7、592-48-3- PubChem CID
- 39175
- DTXSID
DTXSID50897341- EC Number
- 209-759-4
- Nikkaji
- J149.645J、J188.466B
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
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
Physical DescriptionLiquid; [Aldrich MSDS]
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryExplosive mixtures can be produced with air; Highly flammable; An irritant; [Aldrich MSDS] See 1,4-Hexadiene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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