Butyraldehyde - Distillation grade, ≥99.5% , CAS No.123-72-8

CAS: 123-72-8 Cat. No.: B100302 Fórmula: C₄H₈O Peso molecular: 72.11 Beilstein Registry Number: 506061 Número EC: 204-646-6

CALIDAD & PUREZA Distillation grade, ≥99.5%

Synonyms

butyraldehyde | butyr-aldehyde | Butalyde | Butyrylaldehyde | BUTYRALDEHYDE (USP-RS) | Pesticide Code: 202500 | Butyric aldehyde | 1-butanal | BUTYRALDEHYDE [HSDB] | 1-butanone | butanal | Butal | Butyraldehyde [UN1129] [Flammable liquid] | Butyraldehyde

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Especificaciones

Sinónimos

butyraldehyde | butyr-aldehyde | Butalyde | Butyrylaldehyde | BUTYRALDEHYDE (USP-RS) | Pesticide Code: 202500 | Butyric aldehyde | 1-butanal | BUTYRALDEHYDE [HSDB] | 1-butanone | butanal | Butal | Butyraldehyde [UN1129] [Flammable liquid] | Butyraldehyde

Especificaciones y pureza

Distillation grade, ≥99.5%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice,FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Distillation grade

Pureza

≥99.5%

Nombres e identificadores

Pubchem Sid

508813788

Sonrisas canónicas

CCCC=O

IUPAC Name

butanal

InChIKey

ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

INCHI

1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

Isómeros SMILES

CCCC=O

WGK Alemania

1

RTECS

ES2275000

Número ONU

1129

Grupo de embalaje

II

Peso molecular

72.11

Beilstein

506061

Reaxy-Rn

506061

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506061&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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: an n-alkanal

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

Objetivos asociados (humanos)

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

Objetivos asociados (no humanos)

Myzus persicae (1112 Activities)

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Tetranychus urticae (2600 Activities)

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Lactuca sativa (1092 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

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

Brevicoryne brassicae (33 Activities)

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Frankliniella occidentalis (90 Activities)

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Pseudococcus affinis (11 Activities)

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

Pseudococcus viburni (11 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): 23 °F
• Punto de inflamación (°C): -5 °C
• Punto de ebullición (°C): 75°C
• Punto de fusión (°C): -96 °C
• Peso molecular: 72.110 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 72.0575 Da
• Monoisotopic Mass: 72.0575 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 24.800
• 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