2-(Trifluoromethyl)cyclohexanol - ≥97%, mixture of isomers , CAS No.104282-19-1

CAS: 104282-19-1 Cat. No.: T165609 Molecular Weight: 168.16 EC Number: 802-319-8 PubChem CID: 2777485
AVAILABLE TO ORDER
GRADE & PURITY ≥97% mixture of isomers
Synonyms
2-(Trifluoromethyl)cyclohexanol | SODIUM1-BUTANETHIOLATE | 2-(trifluoromethyl)cyclohexan-1-ol | AKOS005259122 | 2-(Trifluoromethyl)cyclohexanol (cis/trans) | AKOS023778829 | BBL102887 | EN300-62206 | DTXSID60380532 | Z979440132 | AS-82297 | BGAGPUHWVOHHTP
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
T165609-250mg
3
$59.90
1g
T165609-1g
2
$159.90
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Why this grade

≥97%, 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

Synonyms
2-(Trifluoromethyl)cyclohexanol | SODIUM1-BUTANETHIOLATE | 2-(trifluoromethyl)cyclohexan-1-ol | AKOS005259122 | 2-(Trifluoromethyl)cyclohexanol (cis/trans) | AKOS023778829 | BBL102887 | EN300-62206 | DTXSID60380532 | Z979440132 | AS-82297 | BGAGPUHWVOHHTP
Specifications & Purity
≥97%, mixture of isomers
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid504761976
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504761976
Canonical SmilesC1CCC(C(C1)C(F)(F)F)O
IUPAC Name2-(trifluoromethyl)cyclohexan-1-ol
InChIKeyBGAGPUHWVOHHTP-UHFFFAOYSA-N
INCHI1S/C7H11F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h5-6,11H,1-4H2
Isomeric SMILES C1CCC(C(C1)C(F)(F)F)O
WGK Germany 3
PubChem CID 2777485
UN Number 1993
Packing Group III
Molecular Weight 168.16

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassAlcohols and polyols
Intermediate Tree Nodes Secondary alcohols
Direct ParentCyclohexanols
Alternative Parents Cyclic alcohols and derivatives  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cyclohexanol - Cyclic alcohol - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
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.

5 results found

Lot NumberCertificate TypeDateItem
F2616462Certificate of AnalysisJun 03, 2026 T165609
F2616465Certificate of AnalysisJun 03, 2026 T165609
H2231849Certificate of AnalysisJun 10, 2025 T165609
H2231850Certificate of AnalysisJun 10, 2025 T165609
J2129191Certificate of AnalysisAug 13, 2024 T165609
Chemical and Physical Properties
Refractive Indexn20/D 1.410
Flash Point(°F)140 °F
Flash Point(°C)60 °C
Molecular Weight168.160 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass168.076 Da
Monoisotopic Mass168.076 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count11
Formal Charge0
Complexity132.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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