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3-Ethyl-3-pentanol - 95%, high purity , CAS No.597-49-9

COA

Grade & Purity:

≥95%

Cas Number: 597-49-9
Molecular Weight: 116.2
Beilstein Registry Number: 1731640
MDL number: MFCD00004484
PubChem CID: 11702

In stock

Item Number

E665450

Grouped product items
SKU	Size	Availability	Price
E665450-5ml	5ml	3	$39.90
E665450-25ml	25ml	2	$139.90
E665450-100ml	100ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$389.90

Basic Description

Synonyms	tert-Heptanol \| tert-Heptyl Alcohol \| Triethylcarbinol \| Triethylmethyl Alcohol \| tert-Heptanol \| tert-Heptyl Alcohol \| Triethylcarbinol \| Triethylmethyl Alcohol
Specifications & Purity	≥95%
Shipped In	Normal
Product Description	Product Application： 3-Ethyl-3-pentanol was used to study the effect of alkanols on the micropolarity and microviscosity of the head group region, in the reverse micelles of AOT-heptane-water by fluorescence probing. 3-Ethyl-3-pentanols were encapsulated in the hexamers of resorcin[4]arenes.

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	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Tertiary alcohol - Hydrocarbon derivative - Aliphatic acyclic 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	3-ethylpentan-3-ol
INCHI	InChI=1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3
InChIKey	XKIRHOWVQWCYBT-UHFFFAOYSA-N
Smiles	CCC(CC)(CC)O
Isomeric SMILES	CCC(CC)(CC)O
WGK Germany	3
RTECS	SA6780000
UN Number	1987
Packing Group	III
Molecular Weight	116.2
Beilstein	1731640
Reaxy-Rn	1731643
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731643&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
E2409194	Certificate of Analysis	May 15, 2024	E665450
E2409195	Certificate of Analysis	May 15, 2024	E665450
E2409196	Certificate of Analysis	May 15, 2024	E665450

Chemical and Physical Properties

Solubility	Slightly soluble in water. Soluble in alcohol.
Refractive Index	1.43
Flash Point(°F)	100.4 °F
Flash Point(°C)	40°C(lit.)
Boil Point(°C)	143°C
Melt Point(°C)	-13°C
Molecular Weight	116.200 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	116.12 Da
Monoisotopic Mass	116.12 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	47.100
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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