Research chemical
1-Mesitylbutane-1,3-dione
CAS Number: 6450-57-3
Product details
Identity & specification
- Molecular formula
- C13H16O2
- Molecular weight
- 204.26 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
367102
Exact Mass
204.11502
InChIKey
MBZZDUHWYNESIY-UHFFFAOYSA-N
IUPAC Name
1-(2,4,6-trimethylphenyl)butane-1,3-dione
SMILES String
CC(CC(C1=C(C)C=C(C)C=C1C)=O)=O
Physical Properties
Appearance
White or Colorless to Yellow powder to lump to liquid
Physical State
powder or liquid
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
15
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
3
Ring count
1
Aromatic rings
1
Topological polar surface area
34.14 Ų
Computed LogP
2.77
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
Research Catalog Compound - Documentation and Supplier Confirmation Required (CAS 6450-57-3) is listed for specialty intermediate sourcing for research synthesis workflows.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: building-block procurement where identity and documentation are checked before use, with buyer review before selection.
Documentation needs
Preliminary handling notes only; confirm supplier SDS before handling. Review storage, transport, and documentation requirements internally before order acceptance.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestProcurement questions
What are the key identifiers for 1-Mesitylbutane-1,3-dione (CAS 6450-57-3)?
1-Mesitylbutane-1,3-dione is identified by CAS 6450-57-3, with molecular formula C13H16O2, molecular weight 204.26, InChIKey MBZZDUHWYNESIY-UHFFFAOYSA-N.
Can I request a COA for CAS 6450-57-3?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 1-Mesitylbutane-1,3-dione?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 6450-57-3 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.