Heptadecanophenone - ≥98% , CAS No.128189-46-8

CAS: 128189-46-8 Cat. No.: H156951 Molecular Weight: 330.56 Beilstein Registry Number: 7(3)1317
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
H0780 | Heptadecanophenone | SCHEMBL967946 | VUXIOSYYRVXOOT-UHFFFAOYSA-N | MFCD00191443 | D90951 | DTXSID10341991 | n-Heptadecanophenone | 1-phenylheptadecan-1-one | AS-58780 | 1-Phenyl-1-heptadecanone # | AKOS037645226 | 1-Heptadecanone, 1-phenyl- | FT-0
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
H156951-1g
6

$48.90

$73.90
Save $25.00 (33.83%)
5g
H156951-5g
2

$181.90

$272.90
Save $91.00 (33.35%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
H0780 | Heptadecanophenone | SCHEMBL967946 | VUXIOSYYRVXOOT-UHFFFAOYSA-N | MFCD00191443 | D90951 | DTXSID10341991 | n-Heptadecanophenone | 1-phenylheptadecan-1-one | AS-58780 | 1-Phenyl-1-heptadecanone # | AKOS037645226 | 1-Heptadecanone, 1-phenyl- | FT-0
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488190402
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488190402
Canonical SmilesCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1
IUPAC Name1-phenylheptadecan-1-one
InChIKeyVUXIOSYYRVXOOT-UHFFFAOYSA-N
INCHI1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(24)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3
Isomeric SMILES CCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1
Molecular Weight 330.56
Beilstein 7(3)1317
Reaxy-Rn 3326540
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3326540&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Butyrophenones  Benzoyl derivatives  Aryl alkyl ketones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Butyrophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
K2204529Certificate of AnalysisOct 09, 2022 H156951
K2207104Certificate of AnalysisOct 09, 2022 H156951
G2321091Certificate of AnalysisOct 09, 2022 H156951
K2204530Certificate of AnalysisOct 09, 2022 H156951
Chemical and Physical Properties
Melt Point(°C)57 °C
Molecular Weight330.500 g/mol
XLogP39.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count16
Exact Mass330.292 Da
Monoisotopic Mass330.292 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count24
Formal Charge0
Complexity278.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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