Glutaraldehyde - 50% in H2O , CAS No.111-30-8

CAS: 111-30-8 Cat. No.: G598815 Formula: OHC(CH₂)₃CHO Molecular Weight: 100.12 Beilstein Registry Number: 605390 EC Number: 203-856-5

GRADE & PURITY 50% in H2O

Synonyms

glutaraldehyde|Pentanedial|Glutaral|111-30-8|Glutaric dialdehyde|1,5-Pentanedial|Cidex|Glutardialdehyde|Sonacide|Glutaric acid dialdehyde|Glutaric aldehyde|Glutaraldehyd|Glutaralum|Aldesan|Alhydex|Glutarol|Hospex|Pentane-1,5-dial|Ucarcide|1,3-Diformylprop

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

glutaraldehyde | Pentanedial | Glutaral | 111-30-8 | Glutaric dialdehyde | 1,5-Pentanedial | Cidex | Glutardialdehyde | Sonacide | Glutaric acid dialdehyde | Glutaric aldehyde | Glutaraldehyd | Glutaralum | Aldesan | Alhydex | Glutarol | Hospex | Pentane-1,5-dial | Ucarcide | 1,3-Diformylprop

Specifications & Purity

50% in H2O

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice,FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

528771871

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771871

Canonical Smiles

C(CC=O)CC=O

IUPAC Name

pentanedial

InChIKey

SXRSQZLOMIGNAQ-UHFFFAOYSA-N

INCHI

1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2

Isomeric SMILES

C(CC=O)CC=O

WGK Germany

3

UN Number

2810

Packing Group

I

Molecular Weight

100.12

Beilstein

605390

Reaxy-Rn

605390

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605390&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Alpha-hydrogen aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Alpha-hydrogen aldehydes
• Alternative Parents: Short-chain aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group.
• External Descriptors: a small molecule

Data sources

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

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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MPO Tchem Myeloperoxidase (1002 Activities)

Discover Target: MPO

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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Lymphoblastoid cell (5959 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

Discover Target: HIF1A

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Associated Targets(non-human)

Mycolicibacterium smegmatis (8003 Activities)

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Mycobacteroides chelonae (540 Activities)

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Plasmodium falciparum (966862 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in hot water, ethanol, chloroform, glacial acetic acid and ether.
• Sensitivity: Light sensitive，Air sensitive，Heat sensitive
• x_refractive_index: 1.42
• x_melt_point_char: -21 °C (-6 °F)
• Molecular Weight: 100.120 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 51.100
• 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