2,4-Dodecadienal - Nature, 10wt. % in medium chain triglycerides (MCTG) , CAS No.21662-16-8

CAS: 21662-16-8 Cat. No.: D485360 분자식: C₁₂H₂₀O 분자량: 180.29 Beilstein Registry Number: 1776172 EC 번호: 244-517-1

GRADE & PURITY Native, 10wt. % in medium chain triglycerides (MCTG)

Synonyms

2,4-Dodecadienal, trans,trans- | (2E,4E)-2,4-Dodecadienal | 2,4-DODECADIEN-1-AL, (E,E)- | 2,4-Dodecadienal, technical, >=90% (GC) | Trans,trans-2,4-dodecadienal | FEMA 3670 | TRANS,TRANS-2,4-DODECADIENAL, (2E,4E)- [FHFI] | VO340RJ9LU | ?(E,E)-2,4-Dodecadi

Storage

Room temperature

Specifications

동의어

2,4-Dodecadienal, trans,trans- | (2E,4E)-2,4-Dodecadienal | 2,4-DODECADIEN-1-AL, (E,E)- | 2,4-Dodecadienal, technical, >=90% (GC) | Trans,trans-2,4-dodecadienal | FEMA 3670 | TRANS,TRANS-2,4-DODECADIENAL, (2E,4E)- [FHFI] | VO340RJ9LU | ?(E,E)-2,4-Dodecadi

사양 및 순도

Nature, 10wt. % in medium chain triglycerides (MCTG)

보관 조건

Room temperature

등급

Native

이름과 식별자

• 정식 스마일: CCCCCCCC=CC=CC=O
• IUPAC Name: (2E,4E)-dodeca-2,4-dienal
• InChIKey: QKTZBZWNADPFOL-BNFZFUHLSA-N
• INCHI: 1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+
• 이성체 SMILES: CCCCCCC/C=C/C=C/C=O
• 분자량: 180.29
• Beilstein: 1776172
• Reaxy-Rn: 10153005
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10153005&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): 201.0 °F - closed cup
• 발화점(°C): 93.89 °C - closed cup
• 분자량: 180.290 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 180.151 Da
• Monoisotopic Mass: 180.151 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 157.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Li Liu, Yuanhui Zhao, Shixue Lu, Yihuan Liu, Xinxing Xu, Mingyong Zeng.  (2023)  Metabolomics investigation on the volatile and non-volatile composition in enzymatic hydrolysates of Pacific oyster (Crassostrea gigas).  Food Chemistry-X,      [PMID:36845524] [10.1016/j.fochx.2023.100569]

자주 묻는 질문

What does Native mean?

Native indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 21662-16-8, the molecular formula is C12H20O, and the molecular weight is 180.29 g/mol. InChIKey QKTZBZWNADPFOL-BNFZFUHLSA-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.