4’-Isobutylacetophenone - ≥97% , CAS No.38861-78-8

CAS: 38861-78-8 Cat. No.: I135493 분자식: C₁₂H₁₆O 분자량: 176.26 EC 번호: 254-159-8

GRADE & PURITY ≥97%

Synonyms

DTXSID6068147 | NSC173015 | NSC-173015 | STL194156 | I0417 | UNII-AML715RD20 | Z104484764 | 1-(4-(2-METHYLPROPYL)PHENYL)ETHANONE | 1-(4-Isobutylphenyl)ethan-1-one | AML715RD20 | EINECS 254-159-8 | Ethanone, 1-(4-(2-methylpropyl)phenyl)- | HN39MC8KIO | InC

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

A useful biochemical for proteomics research.

Specifications

동의어

DTXSID6068147 | NSC173015 | NSC-173015 | STL194156 | I0417 | UNII-AML715RD20 | Z104484764 | 1-(4-(2-METHYLPROPYL)PHENYL)ETHANONE | 1-(4-Isobutylphenyl)ethan-1-one | AML715RD20 | EINECS 254-159-8 | Ethanone, 1-(4-(2-methylpropyl)phenyl)- | HN39MC8KIO | InC

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

504756179

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756179

정식 스마일

CC(C)CC1=CC=C(C=C1)C(=O)C

IUPAC Name

1-[4-(2-methylpropyl)phenyl]ethanone

InChIKey

KEAGRYYGYWZVPC-UHFFFAOYSA-N

INCHI

1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3

이성체 SMILES

CC(C)CC1=CC=C(C=C1)C(=O)C

분자량

176.26

Reaxy-Rn

1935275

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1935275&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpropanes Acetophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpropane - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

• 용해성: Miscible with chloroform and methanol. Slightly miscible with water.
• 감도: Air & Light Sensitive
• 굴절률: 1.52
• 발화점(°F): 129°F
• 발화점(°C): 54°C
• 끓는점(°C): 268 °C
• 분자량: 176.250 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 176.12 Da
• Monoisotopic Mass: 176.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 164.000
• 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?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 38861-78-8, the molecular formula is C12H16O, and the molecular weight is 176.26 g/mol. InChIKey KEAGRYYGYWZVPC-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.