3-(Prop-2-yn-1-yl)pentane-2,4-dione
Basic information
- CAS
38352-74-8- Standard SMILES
C#CCC(C(C)=O)C(C)=O- InChIKey
LRBJQLKQIUOQAV-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Names & identifiers
- Preferred name
- 3-(Prop-2-yn-1-yl)pentane-2,4-dione
- IUPAC
- 3-prop-2-ynylpentane-2,4-dione
Names & synonyms
3-(prop-2-yn-1-yl)pentane-2,4-dioneRefChem:495935959-224-038352-74-83-prop-2-ynylpentane-2,4-dione2,4-Pentanedione, 3-(2-propynyl)-1-acetyl-3-butynyl methyl ketone3-(2-propynyl)-2,4-pentanedioneSCHEMBL4351873-propargyl-pentane-2,4-dioneDTXSID90408793LRBJQLKQIUOQAV-UHFFFAOYSA-N
Show more names
3-prop-2-ynyl-pentane-2,4-dioneNBA35274AKOS022623462CS-0229892EN300-101466G57927
Database identifiers
- CAS
38352-74-8- PubChem CID
- 5148802
- DTXSID
DTXSID90408793- EC Number
- 959-224-0
- Nikkaji
- J693.469B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 181
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, P403+P233, 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. 4 (100%)
Related reactions
1 records
Compound notes
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