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Hexadecyl Ether - 95% , high purity , CAS No.4113-12-6

COA

Grade & Purity:

≥95%

Cas Number: 4113-12-6
Molecular Weight: 466.88
Beilstein Registry Number: 1(4)1878
MDL number: MFCD00026650
PubChem CID: 77757

In stock

Item Number

H157303

Grouped product items
SKU	Size	Availability	Price
H157303-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$14.90
H157303-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$57.90
H157303-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$171.90
H157303-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$571.90

View related series

ether (317) Non heterocyclic block (8163)

Basic Description

Synonyms	DTXSID30194067 \| Q27274979 \| 1-hexadecoxyhexadecane \| DICETYL ETHER [INCI] \| N-HEXADECYL ETHER \| D90795 \| AKOS024428999 \| Hexadecane, 1,1'-oxybis- \| NSC 77143 \| 1-(Hexadecyloxy)hexadecane # \| Dicetyl ether \| H0075 \| EINECS 223-900-7 \| BZ3TC4IWYY \| hexadec
Specifications & Purity	≥95%
Shipped In	Normal

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	1-hexadecoxyhexadecane
INCHI	InChI=1S/C32H66O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKey	FDCJDKXCCYFOCV-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC
Isomeric SMILES	CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC
Molecular Weight	466.88
Beilstein	1(4)1878
Reaxy-Rn	1795562
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1795562&ln=

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
L2425455	Certificate of Analysis	Apr 15, 2024	H157303
A2509020	Certificate of Analysis	Apr 15, 2024	H157303

Chemical and Physical Properties

Melt Point(°C)	55 °C
Molecular Weight	466.900 g/mol
XLogP3	15.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	30
Exact Mass	466.511 Da
Monoisotopic Mass	466.511 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	284.000
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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