2-Ethylbutyric acid - Standard for GC, ≥99.5%(GC) , CAS No.88-09-5

CAS: 88-09-5 Cat. No.: E105669 분자식: C₆H₁₂O₂ 분자량: 116.16 Beilstein Registry Number: 1098634 EC 번호: 201-796-4

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

STR03488 | NSC11765 | NSC-11765 | 2-ETHYLBUTYRIC ACID | 2-Ethyl-butyric acid | FT-0624869 | 2-ETHYLBUTYRIC ACID [FCC] | a-Ethylbutyric Acid | NCGC00248269-01 | EINECS 201-796-4 | Kyselina diethyloctova [Czech] | NSC8758 | NSC-8758 | STL168031 | Kyselina d

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

STR03488 | NSC11765 | NSC-11765 | 2-ETHYLBUTYRIC ACID | 2-Ethyl-butyric acid | FT-0624869 | 2-ETHYLBUTYRIC ACID [FCC] | a-Ethylbutyric Acid | NCGC00248269-01 | EINECS 201-796-4 | Kyselina diethyloctova [Czech] | NSC8758 | NSC-8758 | STL168031 | Kyselina d

사양 및 순도

Standard for GC, ≥99.5%(GC)

보관 조건

Room temperature

배송

Normal

등급

Standard for GC

순수함

≥99.5%(GC)

이름과 식별자

Pubchem Sid

508808008

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808008

정식 스마일

CCC(CC)C(=O)O

IUPAC Name

2-ethylbutanoic acid

InChIKey

OXQGTIUCKGYOAA-UHFFFAOYSA-N

INCHI

1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

이성체 SMILES

CCC(CC)C(=O)O

WGK 독일

1

RTECS

ET1400000

UN 번호

2810

포장 그룹

III

분자량

116.16

Beilstein

1098634

Reaxy-Rn

1098634

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098634&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched fatty acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain.
• External Descriptors: Branched fatty acids

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)

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

GSK3A Tclin Glycogen synthase kinase-3 alpha (3764 Activities)

Discover Target: GSK3A

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

관련 대상(비인간)

HD1 Histone deacetylase (38 Activities)

Discover Target: HD1

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

작용 메커니즘

화학 및 물리적 특성

• 동결점(°C): -15 °C
• 굴절률: 1.4133
• 발화점(°F): 188.6 °F
• 발화점(°C): 87°C
• 끓는점(°C): 99-101°C
• 녹는점(°C): -16--13°C
• 분자량: 116.160 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 116.084 Da
• Monoisotopic Mass: 116.084 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.600
• 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