3-Methyl-1-cyclohexene - ≥93%(GC) , CAS No.591-48-0

CAS: 591-48-0 Cat. No.: M158227 Molecular Weight: 96.17 Beilstein Registry Number: 5(4)247 EC Number: 209-717-5
AVAILABLE TO ORDER
GRADE & PURITY ≥93%(GC)
Synonyms
3-methyl cyclohexene | 3-METHYL-1-CYCLOHEXENE | NSC 72091 | 3-methylcyclohexene-1 | 3-Methylcyclohex-1-ene | 3-Methylcyclohexene | 3-methyl-cyclohexene | 3-METHYLCYCLOHEXENE, (+/-)- | SY053359 | (+/-)-3-Methylcyclohexene | UZPWKTCMUADILM-UHFFFAOYSA-N | M1
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5ml
M158227-5ml
4
$25.90
25ml
M158227-25ml
3
$69.90
100ml
M158227-100ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$199.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥93%(GC) 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
3-methyl cyclohexene | 3-METHYL-1-CYCLOHEXENE | NSC 72091 | 3-methylcyclohexene-1 | 3-Methylcyclohex-1-ene | 3-Methylcyclohexene | 3-methyl-cyclohexene | 3-METHYLCYCLOHEXENE, (+/-)- | SY053359 | (+/-)-3-Methylcyclohexene | UZPWKTCMUADILM-UHFFFAOYSA-N | M1
Specifications & Purity
≥93%(GC)
Storage
Room temperature
Shipped In
Normal
Purity
≥93%(GC)
Names and Identifiers
Pubchem Sid504752160
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752160
Canonical SmilesCC1CCCC=C1
IUPAC Name3-methylcyclohexene
InChIKeyUZPWKTCMUADILM-UHFFFAOYSA-N
INCHI1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
Isomeric SMILES CC1CCCC=C1
Molecular Weight 96.17
Beilstein 5(4)247
Reaxy-Rn 1848550
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1848550&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
ClassUnsaturated hydrocarbons
SubclassOlefins
Intermediate Tree Nodes Cyclic olefins
Direct ParentCycloalkenes
Alternative Parents Unsaturated aliphatic hydrocarbons  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cycloalkene - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond.
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.

14 results found

Lot NumberCertificate TypeDateItem
D2603033Certificate of AnalysisApr 01, 2026 M158227
C2214098Certificate of AnalysisDec 10, 2025 M158227
G2429225Certificate of AnalysisJun 27, 2024 M158227
G2429226Certificate of AnalysisJun 27, 2024 M158227
G2429227Certificate of AnalysisJun 27, 2024 M158227
G2429228Certificate of AnalysisJun 27, 2024 M158227
K2408079Certificate of AnalysisJun 27, 2024 M158227
C2214081Certificate of AnalysisFeb 17, 2022 M158227
C2214094Certificate of AnalysisFeb 17, 2022 M158227
C2214106Certificate of AnalysisFeb 17, 2022 M158227
D2320224Certificate of AnalysisFeb 17, 2022 M158227
D2327032Certificate of AnalysisFeb 17, 2022 M158227
K2302055Certificate of AnalysisFeb 17, 2022 M158227
K2527198Certificate of AnalysisFeb 17, 2022 M158227

Show more ⌵

Chemical and Physical Properties
SolubilitySoluble in ether, alcohol and benzene, insoluble in water
Flash Point(°F)26.6°F
Flash Point(°C)-3°C(lit.)
Boil Point(°C)105°C(lit.)
Molecular Weight96.170 g/mol
XLogP32.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass96.0939 Da
Monoisotopic Mass96.0939 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count7
Formal Charge0
Complexity72.100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Shihao Su, Guojun Lv, Xuyang Zou, Jiangzhang Wang, Chaoyi Zhou, Yan Chen, Jialing Shen, Yangbin Shen, Zhongmin Liu.  (2023)  Room-temperature tandem conversion of cyclic alkenes into 1,2-diols using molecular oxygen and β-MnO2 heterogeneous catalyst.  GREEN CHEMISTRY,      [PMID:] [10.1039/D3GC02863A]
2. Yan Chen, Guojun Lv, Xuyang Zou, Shihao Su, Jiangzhang Wang, Chaoyi Zhou, Jialing Shen, Yangbin Shen, Zhongmin Liu.  (2024)  High-electrophilic (SiO)2Nb(OH)(=O) sites confined in silanol defects over Nb-Beta zeolite for efficient cyclic alkene epoxidation reactions.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:38490038] [10.1016/j.jcis.2024.03.076]
3. Shihao Su, Guojun Lv, Jialing Shen, Fuxin Wang, Lachgar Oussama, Yan Chen, Shengnan Xu.  (2025)  Pickering Interfacial Tandem Catalysis of Alkenes to 1,2-Diols over Manganese Oxide Catalysts at Room Temperature.  ACS Catalysis,      [PMID:] [10.1021/acscatal.4c06225]
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.