2-Cyclohepten-1-one - ≥85% , CAS No.1121-66-0

CAS: 1121-66-0 Cat. No.: C138031 Molecular Weight: 110.15 EC Number: 214-334-1
AVAILABLE TO ORDER
GRADE & PURITY ≥85%
Synonyms
NSC 155333 | SY041083 | FT-0633357 | 2-Cyclohepten-1-one, 80%, technical grade | s10329 | SCHEMBL446593 | cyclohept-2-eneone | (Z)-cyclohept-2-enone | Cyclohept-2-en-1-one | 2-Cycloheptenone | EINECS 214-334-1 | NSC155333 | NSC-155333 | DTXSID30149916 | J
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
C138031-1g
3
$14.90
5g
C138031-5g
3
$58.90
10g
C138031-10g
1
$88.90
25g
C138031-25g
3
$209.90
100g
C138031-100g
2
$746.90
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Why this grade

≥85% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

2-Cyclohepten-1-one is an α,β-enone and its regioselective reaction with allyl indium reagent in the presence of TMSCl has been reported. It reacts with Bu2Zn in the presence of catalytic amounts of Cu(OTf)2 and CH2-bridged azolium salts to give (S)-3-butylcycloheptanone.

Specifications

Synonyms
NSC 155333 | SY041083 | FT-0633357 | 2-Cyclohepten-1-one, 80%, technical grade | s10329 | SCHEMBL446593 | cyclohept-2-eneone | (Z)-cyclohept-2-enone | Cyclohept-2-en-1-one | 2-Cycloheptenone | EINECS 214-334-1 | NSC155333 | NSC-155333 | DTXSID30149916 | J
Specifications & Purity
≥85%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥85%
Names and Identifiers
Pubchem Sid504754561
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504754561
Canonical SmilesC1CCC(=O)C=CC1
IUPAC Namecyclohept-2-en-1-one
InChIKeyWZCRDVTWUYLPTR-UHFFFAOYSA-N
INCHI1S/C7H10O/c8-7-5-3-1-2-4-6-7/h3,5H,1-2,4,6H2
Isomeric SMILES C1CCC(=O)C=CC1
WGK Germany 1
Molecular Weight 110.15
Reaxy-Rn 1903624
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903624&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.

8 results found

Lot NumberCertificate TypeDateItem
D1712067Certificate of AnalysisMay 21, 2026 C138031
F2427011Certificate of AnalysisApr 02, 2026 C138031
C2616192Certificate of AnalysisMar 27, 2026 C138031
F2405137Certificate of AnalysisMar 18, 2026 C138031
C2209177Certificate of AnalysisSep 09, 2025 C138031
C2209336Certificate of AnalysisSep 09, 2025 C138031
C2209601Certificate of AnalysisSep 09, 2025 C138031
C2209605Certificate of AnalysisSep 09, 2025 C138031
Chemical and Physical Properties
SensitivityHeat Sensitive
Refractive Index1.5
Flash Point(°F)154.4 °F
Flash Point(°C)68 °C
Boil Point(°C)183 °C
Molecular Weight110.150 g/mol
XLogP31.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass110.073 Da
Monoisotopic Mass110.073 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count8
Formal Charge0
Complexity114.000
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
Documents & Articles
Citations of This Product
References
1. Zehao Li, Wanying Wang, Lulu Zhang, Jinchu Yang, Yongming Xu, Zhenzhen Huang, Wanzeng Li, Shiying Wang, Jingwen Yang, Zhifeng Zhang.  (2025)  Identification, Characterization, and Mechanism of the Ene Reductase KlebER3 from Klebsiella sp. O852 for the Production of Dihydrocarvone.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41329653] [10.1021/acs.jafc.5c10217]
Solution Calculators
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