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4-hydroxy-4-(trifluoromethyl)cyclohexanone - 97%, high purity , CAS No.120929-90-0

COA

Grade & Purity:

≥97%

Cas Number: 120929-90-0
Molecular Weight: 182.14
EC Number: 866-144-9
PubChem CID: 20035142

In stock

Item Number

H627377

Grouped product items
SKU	Size	Availability	Price
H627377-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90
H627377-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,199.90
H627377-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,081.90

Basic Description

Synonyms	EN300-79129 \| AKOS013584429 \| PB39887 \| SY186431 \| SCHEMBL1372643 \| Z1209979802 \| 4-hydroxy-4-(trifluoromethyl)cyclohexanone \| AS-78991 \| 4-hydroxy-4-(trifluoromethyl)cyclohexan-1-one \| 4-Hydroxy-4-trifluoromethylcyclohexanone \| D79027 \| MFCD18917407 \| 4-
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Not available
Direct Parent	Tertiary alcohols
Alternative Parents	Cyclic ketones Cyclic alcohols and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Ketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-hydroxy-4-(trifluoromethyl)cyclohexan-1-one
INCHI	InChI=1S/C7H9F3O2/c8-7(9,10)6(12)3-1-5(11)2-4-6/h12H,1-4H2
InChIKey	WQEVHVUXWMPHQO-UHFFFAOYSA-N
Smiles	C1CC(CCC1=O)(C(F)(F)F)O
Isomeric SMILES	C1CC(CCC1=O)(C(F)(F)F)O
Alternate CAS	120929-90-0
PubChem CID	20035142
Molecular Weight	182.14

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	182.140 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	182.055 Da
Monoisotopic Mass	182.055 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	187.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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