4-tert-Butylcyclohexanone - ≥99% , CAS No.98-53-3

CAS: 98-53-3 Cat. No.: T124578 Formula: C10H18O Molecular Weight: 154.25 Beilstein Registry Number: 507309 EC Number: 202-678-5 PubChem CID: 7392
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
EINECS 202-678-5 | NSC 73717 | Z104476590 | B1074 | 4-t-butyl cyclohexanone | 4-TERT.BUTYL-CYCLOHEXANONE | Cyclohexanone, 4-(1,1-dimethylethyl)- | F0001-2317 | FS-4254 | Tox21_302032 | 4-terbutyl-cyclohexanone | 4-07-00-00082 (Beilstein Handbook Reference
Storage
Room temperature
Shipped In
Normal
★
Size
Germany (EU)
USA*
Price
Qty
1g
T124578-1g
—
9 In stock
€8.59
5g
T124578-5g
—
8 In stock
€9.46
25g
T124578-25g
—
5 In stock

€16.40

€25.08
Save €8.68 (34.60%)
100g
T124578-100g
—
1 In stock

€41.56

€62.39
Save €20.83 (33.38%)
500g
T124578-500g
1 In stock
1 In stock

€125.74

€189.08
Save €63.34 (33.50%)
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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

4-tert-Butylcyclohexanone is used as a perfuming agents and in cosmetic.

Specifications

Synonyms
EINECS 202-678-5 | NSC 73717 | Z104476590 | B1074 | 4-t-butyl cyclohexanone | 4-TERT.BUTYL-CYCLOHEXANONE | Cyclohexanone, 4-(1,1-dimethylethyl)- | F0001-2317 | FS-4254 | Tox21_302032 | 4-terbutyl-cyclohexanone | 4-07-00-00082 (Beilstein Handbook Reference
Specifications & Purity
≥99%
Storage
Room temperature
Shipped In
Normal
Purity
≥99%
Names and Identifiers
Pubchem Sid488180408
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180408
Canonical SmilesCC(C)(C)C1CCC(=O)CC1
IUPAC Name4-tert-butylcyclohexan-1-one
InChIKeyYKFKEYKJGVSEIX-UHFFFAOYSA-N
INCHI1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
Isomeric SMILES CC(C)(C)C1CCC(=O)CC1
WGK Germany 2
RTECS GW1140000
PubChem CID 7392
Molecular Weight 154.25
Beilstein 507309
Reaxy-Rn 507309

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.

16 results found

Lot NumberCertificate TypeDateItem
E1814082Certificate of AnalysisJan 05, 2026 T124578
B2219330Certificate of AnalysisDec 10, 2025 T124578
A2214220Certificate of AnalysisOct 13, 2025 T124578
A2214219Certificate of AnalysisOct 13, 2025 T124578
G1930184Certificate of AnalysisMay 08, 2023 T124578
C2327301Certificate of AnalysisMar 07, 2023 T124578
C2327302Certificate of AnalysisMar 07, 2023 T124578
C2327303Certificate of AnalysisMar 07, 2023 T124578
C2327305Certificate of AnalysisMar 07, 2023 T124578
C2327306Certificate of AnalysisMar 07, 2023 T124578
C2327307Certificate of AnalysisMar 07, 2023 T124578
C2327308Certificate of AnalysisMar 07, 2023 T124578
H2621056Certificate of AnalysisMar 07, 2023 T124578
E1511050Certificate of AnalysisFeb 08, 2023 T124578
B2219328Certificate of AnalysisDec 15, 2021 T124578
B2219342Certificate of AnalysisDec 15, 2021 T124578

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Chemical and Physical Properties
SolubilitySoluble in alcohol, ethanol (0.5g/10 mL). Insoluble in water.
Flash Point(°F)204.8 °F
Flash Point(°C)96°C(204°F)
Boil Point(°C)116°C/20mmHg
Melt Point(°C)50°C
Molecular Weight154.250 g/mol
XLogP32.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass154.136 Da
Monoisotopic Mass154.136 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity143.000
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
Citations of This Product
References
1. Yu Zhang, Guang-ming Yan, Jie Yang, Gang Zhang.  (2023)  Design of polyarylates containing tert-butyl cyclohexyl bulky side group with high transparency and low dielectric properties.  JOURNAL OF APPLIED POLYMER SCIENCE,  140  (25): (e53975).  [PMID:] [10.1002/app.53975]
Solution Calculators
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