Penta-1,2-diene
Basic information
- CAS
591-95-7- Standard SMILES
C=C=CCC- InChIKey
LVMTVPFRTKXRPH-UHFFFAOYSA-N- Molecular formula
- C5H8
- Average molar mass
- 68.12 g/mol
- Monoisotopic mass
- 68.06260026
Names & identifiers
- Preferred name
- Penta-1,2-diene
- IUPAC
- penta-1,2-diene
- English name
- 1,2-Pentadiene
- Molecular formula
- C5H8
- Molecular weight
- 68.11702
Names & synonyms
1,2-PENTADIENEPenta-1,2-dieneUNII-TQ3OA4EJO9TQ3OA4EJO9EINECS 209-737-4CH2=C=CHCH2CH3DTXSID40870643Penta1,2dieneRefChem:171276DTXCID20818346209-737-4InChI=1/C5H8/c1-3-5-4-2/h5H,1,4H2,2H
Show more names
LVMTVPFRTKXRPH-UHFFFAOYSA-N591-95-7Ethylallene1-Methyl-2,3-butadieneMFCD00039943ethyl allenoate1,2-PentadienSCHEMBL23180
Database identifiers
- CAS
591-95-7- PubChem CID
- 11588
- DTXSID
DTXSID40870643- UNII
- TQ3OA4EJO9
- EC Number
- 209-737-4
- Nikkaji
- J43.499J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 47.1
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
SpringerMaterials PropertiesBoiling point
Vapor Pressure368.0 [mmHg]
Physical DescriptionInsoluble in water (261 mg/L at 25 deg C); [ChemIDplus]
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, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 23 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
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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