2-Butyl-2-octenal - Native, ≥95% , CAS No.13019-16-4

CAS: 13019-16-4 Cat. No.: B485358 분자식: C₁₂H₂₂O 분자량: 182.3

GRADE & PURITY Native, ≥95%

Synonyms

A925680 | 2-Octenal, 2-butyl-, (2Z)- | 2-Octenal, 2-butyl-, (Z)- | 2-BUTYL-2-OCTENAL | 2-n-Butyloct-2-enal | SCHEMBL18338965 | AKOS016010683 | C72202 | DS-5714 | 2-Butyloct-2-enal | FEMA no. 4616, Z- | LYGMPIZYNJGJKP-BENRWUELSA-N | (2Z)-2-Butyl-2-octenal

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

A925680 | 2-Octenal, 2-butyl-, (2Z)- | 2-Octenal, 2-butyl-, (Z)- | 2-BUTYL-2-OCTENAL | 2-n-Butyloct-2-enal | SCHEMBL18338965 | AKOS016010683 | C72202 | DS-5714 | 2-Butyloct-2-enal | FEMA no. 4616, Z- | LYGMPIZYNJGJKP-BENRWUELSA-N | (2Z)-2-Butyl-2-octenal

사양 및 순도

Native, ≥95%

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

Native

순수함

≥95%

이름과 식별자

• 정식 스마일: CCCCCC=C(CCCC)C=O
• IUPAC Name: (Z)-2-butyloct-2-enal
• InChIKey: LYGMPIZYNJGJKP-BENRWUELSA-N
• INCHI: 1S/C12H22O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h10-11H,3-9H2,1-2H3/b12-10-
• 이성체 SMILES: CCCCC/C=C(/CCCC)\C=O
• 분자량: 182.3
• Reaxy-Rn: 1760937
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760937&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Medium-chain aldehydes
• Alternative Parents: Enals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain aldehyde - Enal - Alpha,beta-unsaturated aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
• 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

• 발화점(°F): Not applicable
• 발화점(°C): Not applicable
• 분자량: 182.300 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 182.167 Da
• Monoisotopic Mass: 182.167 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 147.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Yimeng Ren, Longzhu Zhou, Yujie Shi, Yanan Yu, Weihai Xing, Qingyu Zhao, Junmin Zhang, Yueyu Bai, Jing Li, Chaohua Tang.  (2024)  Effect of alterations in phospholipids and free fatty acids on aroma-active compounds in instant-boiled chuck tender, sirloin and silverside beef.  Heliyon,      [PMID:39253161] [10.1016/j.heliyon.2024.e36382]