Basic information
- CAS
5557-88-0- Standard SMILES
C#CC=CCO- InChIKey
TWJDCTNDUKKEMU-UHFFFAOYSA-N- Molecular formula
- C5H6O
- Average molar mass
- 82.1 g/mol
- Monoisotopic mass
- 82.04186481
Names & identifiers
- Preferred name
- 2-Penten-4-yn-1-ol
- IUPAC
- pent-2-en-4-yn-1-ol
Names & synonyms
2-Penten-4-yn-1-ol5557-88-0Pent-2-en-4-yn-1-olDTXSID801031733RefChem:1064099DTXCID401516741226-922-5pent-2-en-4-ynolSCHEMBL294270SCHEMBL294271SCHEMBL7369324AKOS028108604
Show more names
DB-016677NS00043790
Database identifiers
- CAS
5557-88-0- PubChem CID
- 97758
- DTXSID
DTXSID801031733- EC Number
- 226-922-5
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 83.4
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Related reactions
8 records
Compound notes
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