Research chemical
CAS Number: 70602-95-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
558177
Exact Mass
330.25588
InChIKey
DKCNOTQUELVMHN-UHFFFAOYSA-N
IUPAC Name
(4-pentylphenyl) 4-butylcyclohexane-1-carboxylate
SMILES String
CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCCC
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
4-Pentylphenyl trans-4-butyl-cyclohexanecarboxylate is identified by CAS 70602-95-8, with molecular formula C22H34O2, molecular weight 330.5, InChIKey DKCNOTQUELVMHN-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
24
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
9
Ring count
2
Aromatic rings
1
Topological polar surface area
26.3 Ų
Computed LogP
6.32
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
4-Pentylphenyl trans-4-butyl-cyclohexanecarboxylate (CAS 70602-95-8) is maintained as a commercial cas reference with formula C22H34O2, molecular weight 330. 50 g/mol, PubChem CID 558177.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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.