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

CAS: 123-72-8 Cat. No.: B100302 Formule: C₄H₈O Poids moléculaire: 72.11 Beilstein Registry Number: 506061 Numéro CE: 204-646-6

QUALITÉ & PURETÉ 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

Spécifications

Synonymes

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

Spécifications et pureté

Distillation grade, ≥99.5%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Distillation grade

Pureté

≥99.5%

Noms et identifiants

Pubchem Sid

508813788

Sourires canoniques

CCCC=O

IUPAC Name

butanal

InChIKey

ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

CCCC=O

WGK Allemagne

1

RTECS

ES2275000

Numéro ONU

1129

Groupe d'emballage

II

Poids moléculaire

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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Alpha-hydrogen aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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: 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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Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°F): 23 °F
• Point d'éclair (°C): -5 °C
• Point d'ébullition (°C): 75°C
• Point de fusion (°C): -96 °C
• Poids moléculaire: 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