2-Ethylbutyl Acetate - ≥98%(GC) , CAS No.10031-87-5

CAS: 10031-87-5 Cat. No.: E156156 분자식: C₈H₁₆O₂ 분자량: 144.21 Beilstein Registry Number: 2(4)161 EC 번호: 233-095-4

GRADE & PURITY ≥98%(GC)

Synonyms

FEMA No. 2425 | EINECS 233-095-4 | 2-ethylbutylacetat | 2-ethyl butyl acetate | Acetic Acid 2-Ethylbutyl Ester | Acetic acid, 2-ethylbutyl ester | UN1177 | 2-Ethylbutyl acetate | beta-Ethylbutyl acetate | UNII-R7S9T22253

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

FEMA No. 2425 | EINECS 233-095-4 | 2-ethylbutylacetat | 2-ethyl butyl acetate | Acetic Acid 2-Ethylbutyl Ester | Acetic acid, 2-ethylbutyl ester | UN1177 | 2-Ethylbutyl acetate | beta-Ethylbutyl acetate | UNII-R7S9T22253

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488183499

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183499

정식 스마일

CCC(CC)COC(=O)C

IUPAC Name

2-ethylbutyl acetate

InChIKey

HQLKZWRSOHTERR-UHFFFAOYSA-N

INCHI

1S/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3

이성체 SMILES

CCC(CC)COC(=O)C

UN 번호

1177

포장 그룹

III

분자량

144.21

Beilstein

2(4)161

Reaxy-Rn

1746228

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746228&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• External Descriptors: Not available

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

화학 및 물리적 특성

• 굴절률: 1.41
• 발화점(°C): 53 °C
• 끓는점(°C): 160 °C
• 분자량: 144.210 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 144.115 Da
• Monoisotopic Mass: 144.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.400
• 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

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

This product is supplied at ≥98% 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 is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 10031-87-5, the molecular formula is C8H16O2, and the molecular weight is 144.21 g/mol. InChIKey HQLKZWRSOHTERR-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.