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4-Ethylphenylglyoxal hydrate - 95%, high purity , CAS No.1171381-90-0

COA

Grade & Purity:

≥95%

Cas Number: 1171381-90-0
Molecular Weight: 180.2
PubChem CID: 44118760

In stock

Item Number

E179800

Grouped product items
SKU	Size	Availability	Price	Qty
E179800-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$164.90
E179800-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$685.90

Discover 4-Ethylphenylglyoxal hydrate by Aladdin Scientific in 95% for only $164.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-Ethylphenylglyoxal hydrate \| 1171381-90-0 \| 2-(4-Ethylphenyl)-2-oxoacetaldehyde hydrate \| 14333-92-7 \| 2-(4-ethylphenyl)-2-oxoacetaldehyde;hydrate \| (4-Ethylphenyl)glyoxal hydrate \| DTXSID10656971 \| AKOS015855185 \| AB48659 \| DS-0014 \| 2-(4-Ethylphenyl)-2-oxoacetaldehydehyd
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylacetaldehydes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylacetaldehydes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylacetaldehydes
Alternative Parents	Benzoyl derivatives Aryl ketones Alpha ketoaldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylacetaldehyde - Aryl ketone - Benzoyl - Alpha-ketoaldehyde - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde.
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	2-(4-ethylphenyl)-2-oxoacetaldehyde;hydrate
INCHI	InChI=1S/C10H10O2.H2O/c1-2-8-3-5-9(6-4-8)10(12)7-11;/h3-7H,2H2,1H3;1H2
InChIKey	QFDCQUPYEYQFJM-UHFFFAOYSA-N
Smiles	CCC1=CC=C(C=C1)C(=O)C=O.O
Isomeric SMILES	CCC1=CC=C(C=C1)C(=O)C=O.O
PubChem CID	44118760
Molecular Weight	180.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	180.200 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	180.079 Da
Monoisotopic Mass	180.079 Da
Topological Polar Surface Area	35.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	167.000
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	2

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