Acetaldehyde solution - 35 wt. % in H2O , CAS No.75-07-0

CAS: 75-07-0 Cat. No.: A113994 分子式: C₂H₄O 分子量: 44.05 Beilstein Registry Number: 505984 EC番号: 200-836-8 PubChem CID: 177

グレード＆純度 35 wt. % in H2O

Synonyms

ethyl aldehyde | NCI-C56326 | ACETALDEHYDE [MI] | ACETALDEHYDE [WHO-DD] | EINECS 200-836-8 | CH2CHO | ACETALDEHYDE (USP-RS) | Flavor and Extract Manufacturers' Association Number 2003 | GO1N1ZPR3B | VINYL ALCOHOL (FROM ALCOHOLYSIS OR HYDROLYSIS OF VINYL A

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

仕様

同義語

ethyl aldehyde | NCI-C56326 | ACETALDEHYDE [MI] | ACETALDEHYDE [WHO-DD] | EINECS 200-836-8 | CH2CHO | ACETALDEHYDE (USP-RS) | Flavor and Extract Manufacturers' Association Number 2003 | GO1N1ZPR3B | VINYL ALCOHOL (FROM ALCOHOLYSIS OR HYDROLYSIS OF VINYL A

仕様と純度

35 wt. % in H2O

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice,FedEx DG Service

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528769520

カノニカル・スマイル

CC=O

IUPAC Name

acetaldehyde

InChIKey

IKHGUXGNUITLKF-UHFFFAOYSA-N

INCHI

1S/C2H4O/c1-2-3/h2H,1H3

異性体SMILES

CC=O

WGKドイツ

1

RTECS

AB1925000

PubChem CID

177

UN番号

1089

包装グループ

I

分子量

44.05

Beilstein

505984

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Short-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Short-chain aldehydes
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as short-chain aldehydes. These are an aldehyde with a chain length containing between 2 and 5 carbon atoms.
• 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

関連ターゲット（人間）

TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (0 Activities)

Discover Target: TRPA1

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

Discover Target: PPARG

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MPO Tchem Myeloperoxidase (1002 Activities)

Discover Target: MPO

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作用メカニズム

化学的性質と物理的性質

• 感度: air & heat sensitive
• 屈折率: 1.331-1.333
• 引火点（°C）: -27°C
• 沸点（°C）: 21°C
• 融点（°C）: -123°C
• 分子量: 44.050 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 44.0262 Da
• Monoisotopic Mass: 44.0262 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 10.300
• 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