Research chemical
p-Decyl-alpha,alpha,alpha-trifluoroacetophenone
CAS Number: 100444-41-5
Product details
Identity & specification
- Molecular formula
- C18H25F3O
- Molecular weight
- 314.4 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
145364
Exact Mass
314.18575
InChIKey
GJNWUVBDBVUZKP-UHFFFAOYSA-N
IUPAC Name
1-(4-decylphenyl)-2,2,2-trifluoroethanone
SMILES String
CCCCCCCCCCC1=CC=C(C=C1)C(=O)C(F)(F)F
Physical Properties
No physical property values available.
Show more physical data
XLogP
7.9
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
22
H-bond acceptors
1
H-bond donors
0
Rotatable bonds
10
Ring count
1
Aromatic rings
1
Topological polar surface area
17.07 Ų
Computed LogP
6.11
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.
Catalog Facts
Structural features
p-Decyl-alpha,alpha,alpha-trifluoroacetophenone (CAS 100444-41-5) is listed in the Advanced Chemicals portfolio, with molecular formula C18H25F3O and molecular weight 314. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows.
Documentation needs
SDS signal word: Warning; hazard codes: H315, H319, H335; For research use only.
Applications & Classification
Safety & Handling
Handling & Storage
- Store in a well-ventilated area.
PPE
First Aid
- Do not give anything to an unconscious person.
- Rinse mouth with water.
Stability / Reactivity
- and reaction activity.
- carbon monoxide, carbon dioxide, hydrogen fluoride.
Disposal
- The remaining and non-recyclable solution should be handed over to a licensed company for disposal.
- Contact a professional institution with a waste disposal license to handle this substance.
Show additional safety reference fields
Accidental Release
- Do not generate dust when collecting and disposing.
- Sweep and shovel up.
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 RequestCatalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for p-Decyl-alpha,alpha,alpha-trifluoroacetophenone (CAS 100444-41-5)?
p-Decyl-alpha,alpha,alpha-trifluoroacetophenone is identified by CAS 100444-41-5, with molecular formula C18H25F3O, molecular weight 314.4, InChIKey GJNWUVBDBVUZKP-UHFFFAOYSA-N.
Can I request a COA for CAS 100444-41-5?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for p-Decyl-alpha,alpha,alpha-trifluoroacetophenone?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 100444-41-5 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.