1-Heptene - analytical standard, ≥99.8%(GC) , CAS No.592-76-7

CAS: 592-76-7 Cat. No.: H110655 Molecular Weight: 98.19 Beilstein Registry Number: 1098332 EC Number: 209-767-8

GRADE & PURITY Analytical standard, ≥99.8%(GC)

Synonyms

1-HEPTENE|Hept-1-ene|592-76-7|n-Hept-1-ene|1-n-Heptene|Heptylene|n-Heptene|NSC 74130|O748KJ11V7|MFCD00009531|NSC-74130|1-Heptene, analytical standard|25339-56-4(n-Heptene)592-76-7(1-Heptene)|68526-53-4|HSDB 1078|EINECS 209-767-8|UN2278|UNII-O748KJ11V7|.al

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

1-HEPTENE | Hept-1-ene | 592-76-7 | n-Hept-1-ene | 1-n-Heptene | Heptylene | n-Heptene | NSC 74130 | O748KJ11V7 | MFCD00009531 | NSC-74130 | 1-Heptene, analytical standard | 25339-56-4(n-Heptene)592-76-7(1-Heptene) | 68526-53-4 | HSDB 1078 | EINECS 209-767-8 | UN2278 | UNII-O748KJ11V7 | .al

Specifications & Purity

analytical standard, ≥99.8%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Purity

≥99.8%(GC)

Names and Identifiers

• Canonical Smiles: CCCCCC=C
• IUPAC Name: hept-1-ene
• InChIKey: ZGEGCLOFRBLKSE-UHFFFAOYSA-N
• INCHI: 1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
• Isomeric SMILES: CCCCCC=C
• WGK Germany: 1
• RTECS: MJ8840000
• UN Number: 2278
• Packing Group: II
• Molecular Weight: 98.19
• Beilstein: 1098332
• Reaxy-Rn: 1098332
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098332&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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
• Description: 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: Hydrocarbons

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

Chemical and Physical Properties

• Refractive Index: 1.3994
• Flash Point(°F): 15.8 °F
• Flash Point(°C): -8℃
• Boil Point(°C): 93.3°C
• Melt Point(°C): -119.2°C
• Molecular Weight: 98.190 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 98.1096 Da
• Monoisotopic Mass: 98.1096 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 37.300
• 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

References

1. Yang Xiao, Wang Yunbo, Cao Weihua, Jiang Ruizheng, Xie Guoxin, Cao Yuying, Qi Xiaowen.  (2023)  Adsorption limitation investigation on olefins for Cu-BTC.  Friction,      [PMID:] [10.1007/s40544-023-0763-5]

2. Xu Li, Jiaqi Li, Xiaohong Wang, Lijun Yang, Hong Xu, Jinxiang Dong.  (2022)  Novel branched-chain sulfonate surfactants based on α-olefins from Fischer–Tropsch synthesis via reaction-separation-utilization integrated process.  FUEL,      [PMID:] [10.1016/j.fuel.2022.126961]

3. Bao Jingxian, Fan Yonghui, Zhang Shuyi, Zhong Liangshu, Wu Minghong, Sun Yuhan.  (2019)  Hydrofunctionalization of Olefins to Higher Aliphatic Alcohols via Visible-Light Photocatalytic Coupling.  CATALYSIS LETTERS,  149  (6): (1651-1659).  [PMID:] [10.1007/s10562-019-02737-3]

4. Tianjun Zhang, Xiaoxin Chen, Guangrui Chen, Mengyang Chen, Risheng Bai, Mingjun Jia, Jihong Yu.  (2018)  Synthesis of anatase-free nano-sized hierarchical TS-1 zeolites and their excellent catalytic performance in alkene epoxidation.  Journal of Materials Chemistry A,  6  (20): (9473-9479).  [PMID:] [10.1039/C8TA01439F]

5. Shulan Yan, Xiufang Yan, Xuexiang Shao, Jie Liang.  (2015)  Porous polymeric antimicrobial resin containing N-halamine functional groups.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2015.09.006]

6. Geng Chen, Zexiang Bi, Xu Li, Jinxiang Dong.  (2025)  Hydroformylation of α-olefin dimers over Rh/C for synthesis of branched-chain fatty alcohols/acids.  FUEL,      [PMID:] [10.1016/j.fuel.2025.134552]

7. Yuqing Wang, Miao Jiang, Na Liu, Tian Tian, Changdao Li, Zhao Sun, Gewen Yu, Yanming Wang, Wenxiu He, Jian Ding, Li Yan, Yunjie Ding.  (2025)  Constructing nitrogen-doped porous organic polymer- supported single-atom cobalt catalysts for highly efficient hydroformylation of internal olefins.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.166057]

8. Shihao Su, Guojun Lv, Jialing Shen, Fuxin Wang, Lachgar Oussama, Yan Chen, Shengnan Xu.  (2025)  Pickering Interfacial Tandem Catalysis of Alkenes to 1,2-Diols over Manganese Oxide Catalysts at Room Temperature.  ACS Catalysis,      [PMID:] [10.1021/acscatal.4c06225]

9. Shihao Su, Xuyang Zou, Guojun Lv, Fuxin Wang, Yangbin Shen.  (2025)  One-pot tandem conversion of alkenes into 1,2-diols over efficient bifunctional tin-tungsten oxide catalysts.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40378450] [10.1016/j.jcis.2025.137875]