Heptylcyclohexane - ≥99% , CAS No.5617-41-4

CAS: 5617-41-4 Cat. No.: H157211 Molecular Weight: 182.35 EC Number: 227-041-9
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
NSC102802 | NSC-102802 | 1-Cyclohexylheptane | MFCD00019404 | EINECS 227-041-9 | FT-0635784 | NSC 102802 | Heptane, 1-cyclohexyl- | n-Heptylcyclohexane | DTXSID1058636 | AS-47895 | F16715 | HEPTYLCYCLOHEXANE | n-Heptyl cyclohexane | H0442 | MSTLSCNJAHAQNU
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
H157211-1ml
2
$23.90
5ml
H157211-5ml
1
$63.90
Enter a quantity for the sizes you want to add.
🧪

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
NSC102802 | NSC-102802 | 1-Cyclohexylheptane | MFCD00019404 | EINECS 227-041-9 | FT-0635784 | NSC 102802 | Heptane, 1-cyclohexyl- | n-Heptylcyclohexane | DTXSID1058636 | AS-47895 | F16715 | HEPTYLCYCLOHEXANE | n-Heptyl cyclohexane | H0442 | MSTLSCNJAHAQNU
Specifications & Purity
≥99%
Storage
Room temperature
Shipped In
Normal
Purity
≥99%
Names and Identifiers
Pubchem Sid488182724
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488182724
Canonical SmilesCCCCCCCC1CCCCC1
IUPAC Nameheptylcyclohexane
InChIKeyMSTLSCNJAHAQNU-UHFFFAOYSA-N
INCHI1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3
Isomeric SMILES CCCCCCCC1CCCCC1
Molecular Weight 182.35
Reaxy-Rn 1901453
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1901453&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
SuperclassHydrocarbons
ClassSaturated hydrocarbons
SubclassCycloalkanes
Intermediate Tree Nodes Not available
Direct ParentCycloalkanes
Alternative Parents Not available
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cycloalkane - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
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
G2405232Certificate of AnalysisMar 23, 2024 H157211
G2405233Certificate of AnalysisMar 23, 2024 H157211
L22071029Certificate of AnalysisOct 18, 2022 H157211
L22071036Certificate of AnalysisOct 18, 2022 H157211
Chemical and Physical Properties
Refractive Index1.44
Boil Point(°C)244 °C
Molecular Weight182.350 g/mol
XLogP36.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Exact Mass182.203 Da
Monoisotopic Mass182.203 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count13
Formal Charge0
Complexity101.000
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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