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n-Octanal Diethyl Acetal - >97.0%(GC), high purity , CAS No.54889-48-4

COA

Grade & Purity:

≥97%(GC)

Cas Number: 54889-48-4
Molecular Weight: 202.34
MDL number: MFCD00672807
PubChem CID: 101364

In stock

Item Number

N159864

Grouped product items
SKU	Size	Availability	Price
N159864-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
N159864-5ml	5ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$38.90
N159864-25ml	25ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$117.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	Octane, 1,1-diethoxy- \| AKOS030228002 \| SCHEMBL3506995 \| D91870 \| MFCD00672807 \| EINECS 259-385-0 \| n-OctanalDiethylAcetal \| O0427 \| 1,1-Diethoxyoctane \| 1,1-diethoxy-octane \| AI3-05099 \| Octanal diethyl acetal \| Octane,1-diethoxy- \| NSC408319 \| NSC-40831
Specifications & Purity	≥97%(GC)
Storage Temp	Argon charged
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	Acetals
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acetal - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' 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	1,1-diethoxyoctane
INCHI	InChI=1S/C12H26O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-11H2,1-3H3
InChIKey	BRKIPAWFUDCCOO-UHFFFAOYSA-N
Smiles	CCCCCCCC(OCC)OCC
Isomeric SMILES	CCCCCCCC(OCC)OCC
Molecular Weight	202.34
Reaxy-Rn	1700038
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1700038&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
H2402294	Certificate of Analysis	Apr 16, 2024	N159864
H2402293	Certificate of Analysis	Apr 16, 2024	N159864

Chemical and Physical Properties

Sensitivity	Moisture Sensitive
Refractive Index	1.42
Flash Point(°C)	58 °C
Boil Point(°C)	115°C/20mmHg(lit.)
Molecular Weight	202.330 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	10
Exact Mass	202.193 Da
Monoisotopic Mass	202.193 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	98.500
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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