Acetaldehyde solution - 5 M in THF , CAS No.75-07-0

CAS: 75-07-0 Cat. No.: A433551 분자식: C₂H₄O 분자량: 44.05 Beilstein Registry Number: 505984 EC 번호: 200-836-8 PubChem CID: 177

등급 & 순도 5 M in THF

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

Shipped In

Wet ice,FedEx DG Service

사양

동의어

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

사양 및 순도

5 M in THF

보관 조건

Store at 2-8°C

배송

Wet ice,FedEx DG Service

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이름과 식별자

정식 스마일

CC=O

IUPAC Name

acetaldehyde

InChIKey

IKHGUXGNUITLKF-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

CC=O

WGK 독일

1

RTECS

AB1925000

PubChem CID

177

UN 번호

1089

포장 그룹

I

분자량

44.05

Beilstein

505984

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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

Discover Target: TRPA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

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

Discover Target: PPARG

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

MPO Tchem Myeloperoxidase (1002 Activities)

Discover Target: MPO

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

관련 대상(비인간)

Salmonella typhimurium (15756 Activities)

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

Vibrio parahaemolyticus (473 Activities)

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

Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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

Listeria monocytogenes (2626 Activities)

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

Bacillus cereus (7522 Activities)

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

Catharanthus roseus (29 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.331-1.333
• 발화점(°C): -27°C
• 끓는점(°C): 21°C
• 녹는점(°C): -123°C
• 분자량: 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

자주 묻는 질문

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.