Research chemical
CAS Number: 4396-06-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
78107
Exact Mass
280.180346
InChIKey
VKAOXRFKUSQLKG-UHFFFAOYSA-N
IUPAC Name
3-methylbutyl octyl hydrogen phosphate
SMILES String
CCCCCCCCOP(=O)(O)OCCC(C)C
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
Phosphoric acid, mono(3-methylbutyl) monooctyl ester is identified by CAS 4396-06-9, with molecular formula C13H29O4P, molecular weight 280.34, InChIKey VKAOXRFKUSQLKG-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
18
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
12
Ring count
0
Aromatic rings
0
Topological polar surface area
55.76 Ų
Computed LogP
4.53
Fragment-like structure rule
Yes
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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
Phosphoric acid, mono(3-methylbutyl) monooctyl ester (CAS 4396-06-9) is maintained as a commercial cas reference with formula C13H29O4P, molecular weight 280. 34 g/mol, PubChem CID 78107.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include phosphine-ligand motif, fragment-like structure profile, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.