trans-3-Hexene - ≥98%(GC) , CAS No.13269-52-8

CAS: 13269-52-8 Cat. No.: T162372 분자식: C₆H₁₂ 분자량: 84.16 Beilstein Registry Number: 1718860 EC 번호: 236-261-4

GRADE & PURITY ≥98%(GC)

Synonyms

trans-Hex-3-ene | (3E)-3-Hexene # | 3-HEXENE | (E)-hex-3-ene | UNII-40FC9RS24T | CHEBI:176801 | (E)-3-Hexene | J-006210 | trans-3-Hexene | (3E)-3-Hexene | 3CO1LUX1AR | NSC 74125 | Alkenes, C6 | MFCD00009386 | Q27257037 | trans-3-Hexene, >=99% | 3-hexene,

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

trans-Hex-3-ene | (3E)-3-Hexene # | 3-HEXENE | (E)-hex-3-ene | UNII-40FC9RS24T | CHEBI:176801 | (E)-3-Hexene | J-006210 | trans-3-Hexene | (3E)-3-Hexene | 3CO1LUX1AR | NSC 74125 | Alkenes, C6 | MFCD00009386 | Q27257037 | trans-3-Hexene, >=99% | 3-hexene,

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 504759648
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759648
• 정식 스마일: CCC=CCC
• IUPAC Name: (E)-hex-3-ene
• InChIKey: ZQDPJFUHLCOCRG-AATRIKPKSA-N
• INCHI: 1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+
• 이성체 SMILES: CC/C=C/CC
• WGK 독일: 3
• UN 번호: 3295
• 포장 그룹: II
• 분자량: 84.16
• Beilstein: 1718860
• Reaxy-Rn: 1718857
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718857&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 분류 Unsaturated hydrocarbons
      • Subclass Unsaturated aliphatic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: Unsaturated hydrocarbons
• Subclass: Unsaturated aliphatic hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Unsaturated aliphatic hydrocarbons
• Alternative Parents: Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
• 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: Insoluble in water. Soluble in benzene, ligroin, ethanol, chloroform, ether.
• 굴절률: 1.394
• 발화점(°F): -13 °F
• 발화점(°C): -25 ℃
• 끓는점(°C): 67 °C
• 녹는점(°C): -113°C
• 분자량: 84.160 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 84.0939 Da
• Monoisotopic Mass: 84.0939 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 29.300
• 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. Kang Yuan, Hao Li, Rui Zuo, Baiqin Gan, Chengjia Xiong.  (2023)  Highly Sensitive Detection of Isomers through Dynamic Reflection Spectroscopy Based on Simple Amorphous Photonic Crystals.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.3c04812]

2. Teng Li, Ping Jin, Yekai Zhang, Kexin Huang, Jingen Long, Jun Jiang, Shengqin Liu, Ayusman Sen, Weiran Yang.  (2020)  Mechanistic Study on the Efficient Conversion of d-Sorbitol to Iodohexanes Mediated by Hydroiodic Acid.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.9b06348]