2-Ethylhexanoic acid - ≥99%(GC) , CAS No.149-57-5

CAS: 149-57-5 Cat. No.: E103543 분자식: C₈H₁₆O₂ 분자량: 144.21 Beilstein Registry Number: 1750468 EC 번호: 205-743-6

GRADE & PURITY ≥99%(GC)

Synonyms

2 ETHYL HEXANOIC ACID | EN300-20410 | NCGC00258957-01 | 2-Ethyl-1-hexanoic acid | BRN 1750468 | Hexanoic acid, 2-ethyl-, (-)- | HMS2267F21 | alpha-ethyl caproic acid | Tox21_300108 | Ethyl hexanoic acid | Ethylhexanoic acid | F0001-0703 | Kyselina heptan-

Storage

Room temperature

Shipped In

Normal

개요

2-Ethylhexanoic acid (EHXA, 2-EHA) is an industrially important aliphatic carboxylic acid.

2-Ethylhexanoic acid (EHXA, 2-EHA) is an industrially important aliphatic carboxylic acid. It is widely employed as a stabilizer and a wood preservative.

It has various industrial applications, such as:

coolant in automotives

synthetic lubricant

wetting agent

co-solvent

drying of paints

defoaming agent in pesticides

Specifications

동의어

2 ETHYL HEXANOIC ACID | EN300-20410 | NCGC00258957-01 | 2-Ethyl-1-hexanoic acid | BRN 1750468 | Hexanoic acid, 2-ethyl-, (-)- | HMS2267F21 | alpha-ethyl caproic acid | Tox21_300108 | Ethyl hexanoic acid | Ethylhexanoic acid | F0001-0703 | Kyselina heptan-

사양 및 순도

≥99%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥99%(GC)

이름과 식별자

Pubchem Sid

504751717

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751717

정식 스마일

CCCCC(CC)C(=O)O

IUPAC Name

2-ethylhexanoic acid

InChIKey

OBETXYAYXDNJHR-UHFFFAOYSA-N

INCHI

1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

이성체 SMILES

CCCCC(CC)C(=O)O

WGK 독일

1

RTECS

MO7700000

대체 CAS

25103-52-0

분자량

144.21

Beilstein

1750468

Reaxy-Rn

1721433

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721433&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: Medium-chain fatty acids
• Alternative Parents: Branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - 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 medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

관련 대상(비인간)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Slc22a20 Solute carrier family 22 member 20 (86 Activities)

Discover Target: Slc22a20

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Miscible with water.
• 감도: Moisture sensitive.
• 굴절률: 1.424-1.426
• 발화점(°F): 237.2 °F
• 발화점(°C): 114℃
• 끓는점(°C): 228°C
• 녹는점(°C): -59°C
• 분자량: 144.210 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 144.115 Da
• Monoisotopic Mass: 144.115 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 149-57-5, the molecular formula is C8H16O2, and the molecular weight is 144.21 g/mol. InChIKey OBETXYAYXDNJHR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.