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

CAS: 123-72-8 Cat. No.: B100302 Summenformel: C₄H₈O Molekulargewicht: 72.11 Beilstein Registry Number: 506061 EG-Nummer: 204-646-6

QUALITÄT & REINHEIT 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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

Distillation grade, ≥99.5%

Storage

Store at 2-8°C

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Distillation grade

Reinheit

≥99.5%

Namen und Kennungen

Pubchem Sid

508813788

Kanonisches Lächeln

CCCC=O

IUPAC Name

butanal

InChIKey

ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CCCC=O

WGK Deutschland

1

RTECS

ES2275000

UN-Nummer

1129

Verpackungsgruppe

II

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Aldehydes
          • Ebene6 Alpha-hydrogen aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 23 °F
• Flammpunkt (°C): -5 °C
• Siedepunkt (°C): 75°C
• Schmelzpunkt (°C): -96 °C
• Molekulargewicht: 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