1,3,5-Trimethylcyclohexane - ≥98%(GC)(mixture of isomers) , CAS No.1839-63-0

CAS: 1839-63-0 Cat. No.: T161701 Peso molecular: 126.24 Beilstein Registry Number: 5(4)138 Número EC: 217-417-0
Disponible para pedir
Synonyms
1A,3A,5A-Trimethylcyclohexene | Cyclohexane, 1,3,5-Trimethyl-(1Alpha,3Alpha,5Alpha)- (9Ci) | Cyclohexane, 1,3,5-Trimethyl- | Cis- (8Ci)
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1ml
T161701-1ml
1
19,90US$
5ml
T161701-5ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
69,90US$
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Why this grade

≥98%(GC)(mixture of isomers) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Sinónimos
1A, 3A, 5A-Trimethylcyclohexene | Cyclohexane, 1, 3, 5-Trimethyl-(1Alpha, 3Alpha, 5Alpha)- (9Ci) | Cyclohexane, 1, 3, 5-Trimethyl- | Cis- (8Ci)
Especificaciones y pureza
≥98%(GC)(mixture of isomers)
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥98%(GC)(mixture of isomers)
Nombres e identificadores
Pubchem Sid504753539
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504753539
Sonrisas canónicasCC1CC(CC(C1)C)C
IUPAC Name1,3,5-trimethylcyclohexane
InChIKeyODNRTOSCFYDTKF-UHFFFAOYSA-N
INCHI1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3
Isómeros SMILES CC1CC(CC(C1)C)C
Peso molecular 126.24
Beilstein 5(4)138
Reaxy-Rn 1900496
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900496&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassHydrocarbons
ClaseSaturated hydrocarbons
SubclassCycloalkanes
Intermediate Tree Nodes Not available
Direct ParentCycloalkanes
Alternative Parents Not available
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cycloalkane - Aliphatic homomonocyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

8 results found

Lot NumberCertificate TypeFechaArticulo
E2613518Certificate of AnalysisMar 10, 2026 T161701
E2613520Certificate of AnalysisMar 10, 2026 T161701
F2427412Certificate of AnalysisMay 27, 2024 T161701
F2427413Certificate of AnalysisMay 27, 2024 T161701
E2306873Certificate of AnalysisMar 31, 2023 T161701
E2306875Certificate of AnalysisMar 31, 2023 T161701
E2306881Certificate of AnalysisMar 31, 2023 T161701
E2306892Certificate of AnalysisMar 31, 2023 T161701
Propiedades químicas y físicas
Índice de refracción1.4260 to 1.4290
Punto de inflamación (°C)19 °C
Punto de ebullición (°C)140 °C
Peso molecular126.240 g/mol
XLogP34.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass126.141 Da
Monoisotopic Mass126.141 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity55.000
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
Calculadoras de soluciones
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