Basic information
- CAS
871-28-3- Standard SMILES
C#CCC=C- InChIKey
LKOBTUTURSPCEE-UHFFFAOYSA-N- Molecular formula
- C5H6
- Average molar mass
- 66.1 g/mol
- Monoisotopic mass
- 66.04695019
Names & identifiers
- Preferred name
- 1-Penten-4-yne
- IUPAC
- pent-1-en-4-yne
- English name
- 1-Penten-4-yne
- Molecular formula
- C5H6
- Molecular weight
- 66.1
Names & synonyms
1-Penten-4-ynepent-1-en-4-yne871-28-3DTXSID80870788RefChem:435410DTXCID00818480963-074-1allylacetylene4-penten-1-yneCH2=CHCH2C.equiv.CHMFCD000416681-?Penten-?4-?yne
Show more names
ALLYL ACETYLENECH2=CHCH2CequivCHvinyl(ethynyl)methane1-Penten-4-yne (6CI, 7CI, 8CI, 9CI)
SCHEMBL518032SCHEMBL654712SCHEMBL3535212SCHEMBL4351176SCHEMBL4423518SCHEMBL6721323SCHEMBL9021062AAA87128
Database identifiers
- CAS
871-28-3- PubChem CID
- 522708
- DTXSID
DTXSID80870788- EC Number
- 963-074-1
- Nikkaji
- J429.869A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 61.4
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -113 °C · -113°C (estimate)
- Boiling point
- 42 · 42-43°C
- Density
- 0 · 0,78 g/cm3
- refractive index
- 1.4125 · 1.4125
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1-Penten-4-yne is a building block used in organic synthesis. Used in the synthesis of trocheliophorolides as well as in the enantioselective synthesis of nonracemic geminal silylboronates.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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