4-Heptylcyclohexanone - ≥99% , CAS No.16618-75-0

CAS: 16618-75-0 Cat. No.: H301533 Molecular Weight: 196.33
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
Cyclohexanone, 4-heptyl- | MFCD25978211 | AKOS017269138 | A925110 | QWHCPRHASHNSDA-UHFFFAOYSA-N | 4-HEPTYLCYCLOHEXANONE | DS-19162 | 4-HEPTYLCYCLOHEXAN-1-ONE | D83611 | SY073462 | SCHEMBL2853523 | DTXSID80520711 | FT-0769401
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
H301533-5g
4
$18.90
25g
H301533-25g
4
$70.90
100g
H301533-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$242.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% 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
Cyclohexanone, 4-heptyl- | MFCD25978211 | AKOS017269138 | A925110 | QWHCPRHASHNSDA-UHFFFAOYSA-N | 4-HEPTYLCYCLOHEXANONE | DS-19162 | 4-HEPTYLCYCLOHEXAN-1-ONE | D83611 | SY073462 | SCHEMBL2853523 | DTXSID80520711 | FT-0769401
Specifications & Purity
≥99%
Storage
Room temperature
Shipped In
Normal
Purity
≥99%
Names and Identifiers
Pubchem Sid488198360
Canonical SmilesCCCCCCCC1CCC(=O)CC1
IUPAC Name4-heptylcyclohexan-1-one
InChIKeyQWHCPRHASHNSDA-UHFFFAOYSA-N
INCHI1S/C13H24O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h12H,2-11H2,1H3
Isomeric SMILES CCCCCCCC1CCC(=O)CC1
Molecular Weight 196.33
Reaxy-Rn 2249310
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2249310&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
Direct ParentCyclic ketones
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
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
H2106518Certificate of AnalysisMay 12, 2025 H301533
H2106655Certificate of AnalysisMay 12, 2025 H301533
H2106681Certificate of AnalysisMay 12, 2025 H301533
D23142375Certificate of AnalysisAug 11, 2021 H301533
Chemical and Physical Properties
Molecular Weight196.330 g/mol
XLogP34.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass196.183 Da
Monoisotopic Mass196.183 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count14
Formal Charge0
Complexity153.000
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
Reviews

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