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Isopropyl Cyclohexanecarboxylate - >98.0%(GC), high purity , CAS No.6553-80-6

COA

Grade & Purity:

≥98%(GC)

Cas Number: 6553-80-6
Molecular Weight: 170.25
MDL number: MFCD00058949
PubChem CID: 81039

In stock

Item Number

I157713

Grouped product items
SKU	Size	Availability	Price
I157713-25ml	25ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$50.90
I157713-100ml	100ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$181.90
I157713-500ml	500ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$535.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	isopropyl cyclohexylformate \| D89255 \| 5-CHLORO-2-[(CHLOROACETYL)AMINO]BENZOICACID \| Cyclohexanecarboxylic acid, isopropyl ester \| MFCD00058949 \| EINECS 229-474-9 \| Isopropyl cyclohexanecarboxylate \| CYCLOHEXANECARBOXYLICACIDISOPROPYLESTER \| Isopropyl cyc
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acid esters
Alternative Parents	Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
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	propan-2-yl cyclohexanecarboxylate
INCHI	InChI=1S/C10H18O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKey	PMQZNGSMBAGPRU-UHFFFAOYSA-N
Smiles	CC(C)OC(=O)C1CCCCC1
Isomeric SMILES	CC(C)OC(=O)C1CCCCC1
Molecular Weight	170.25
Reaxy-Rn	1937639
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1937639&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°C)	75 °C
Boil Point(°C)	131°C(lit.)
Molecular Weight	170.250 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	170.131 Da
Monoisotopic Mass	170.131 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	146.000
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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