Research chemical
CAS Number: 10031-71-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
61446
Exact Mass
234.16198
InChIKey
WCEXWNUHYPYHDN-UHFFFAOYSA-N
IUPAC Name
(2-methyl-4-phenylbutan-2-yl) 2-methylpropanoate
SMILES String
CC(C)C(=O)OC(C)(C)CCC1=CC=CC=C1
Appearance
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
1,1-Dimethyl-3-phenylpropyl isobutyrate is identified by CAS 10031-71-7, with molecular formula C15H22O2, molecular weight 234.33, InChIKey WCEXWNUHYPYHDN-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Colourless liquid; Peculiar fruity-juicy, tea-like and herbaceous, richly sweet aroma
Boiling Point
250.0 °C
Density
0.949 g/cm³
Water Solubility
insoluble in water
Refractive Index
1.475
XLogP
4.1
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
17
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
5
Ring count
1
Aromatic rings
1
Topological polar surface area
26.3 Ų
Computed LogP
3.6
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.
Structural features
1,1-Dimethyl-3-phenylpropyl isobutyrate (CAS 10031-71-7) is an English MolGraph catalog reference, molecular formula C15H22O2 and molecular weight 234. 33 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for synthetic chemistry workflows, catalysis and ligand research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.