Basic information
- CAS
624-67-9- Standard SMILES
C#CC=O- InChIKey
IJNJLGFTSIAHEA-UHFFFAOYSA-N- Molecular formula
- C3H2O
- Average molar mass
- 54.05 g/mol
- Monoisotopic mass
- 54.01056468
Overview
Prop-2-ynal is a ynal and a terminal acetylenic compound. It has a role as a mouse metabolite.
Names & identifiers
- Preferred name
- Propynal
- IUPAC
- prop-2-ynal
- English name
- PROPYNAL
- Molecular formula
- C3H2O
- Molecular weight
- 54.05
Names & synonyms
2-PropynalPROPYNALprop-2-ynal624-67-9PropiolaldehydePropargylaldehydePropioaldehydeFormylacetyleneSJ8A65XF7NDTXSID3060790CHEBI:27976RefChem:869643
Show more names
ProrynalPROPYNAL TECH.2-Propyne-1-onePropiolic aldehyde
DTXCID1043338210-857-42-Propyn-1-alPropyn-3-alPropiolaldehye2-Propyn-1-oneAcetylenecarboxaldehydeMFCD00040470
Database identifiers
- CAS
624-67-9- PubChem CID
- 12222
- DTXSID
DTXSID3060790- ChEMBL
CHEMBL722- ChEBI
CHEBI:27976- UNII
- SJ8A65XF7N
- EC Number
- 210-857-4
- Nikkaji
- J38.007E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 54.9
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 121 · 121-122 °C
- Boiling point
- 58.85 °C · 58.85°C
- Density
- 0.9152 · 0.9152
- refractive index
- 1.3963 · 1.3963 (estimate)
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol
- form
- Oil
- color
- Colourless to Orange
- Stability
- Light Sensitive, Moisture Sensitive, Volatile
- FDA UNII
- 8 A65XF7N · SJ8A65XF7N
- EPA Substance Registry System
- 2 · 2-Propynal (624-67-9)
- Symbol(GHS)
- 2 · GHS02
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (40%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+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 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (40%)
Safety data
- tsca
- TSCA listed
- ridadr
- 1989
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- Hazard statements
- H226
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propynal: INACTIVE
Applications
Uses2-Propynal is hypothesized to be a possible metabolite of pargyline, a monoamine oxidase inhibitor that is used as an antihypertensive agent. 2-Propynal is also known to induce hepatocyte toxicity in vivo in rats.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers41 total
Related reactions
10 records
Compound notes
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