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3-(butoxymethyl)heptane - ≥95%, high purity , CAS No.62625-25-6

COA

Grade & Purity:

≥95%

Cas Number: 62625-25-6
Molecular Weight: 186.33
MDL number: MFCD01940490
PubChem CID: 522064

In stock

Item Number

H769094

Grouped product items
SKU	Size	Availability	Price	Qty
H769094-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$920.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Ethers

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Dialkyl ethers
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
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-(butoxymethyl)heptane
INCHI	InChI=1S/C12H26O/c1-4-7-9-12(6-3)11-13-10-8-5-2/h12H,4-11H2,1-3H3
InChIKey	XIUZCZSOJYCCTG-UHFFFAOYSA-N
Smiles	CCCCC(CC)COCCCC
Isomeric SMILES	CCCCC(CC)COCCCC
PubChem CID	522064
Molecular Weight	186.33

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	186.330 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	9
Exact Mass	186.198 Da
Monoisotopic Mass	186.198 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	91.100
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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