4-Ethyl-1,2-dimethoxybenzene - ≥95% , CAS No.5888-51-7

CAS: 5888-51-7 Cat. No.: E194090 Summenformel: C₁₀H₁₄O₂ Molekulargewicht: 166.22

GRADE & PURITY ≥95%

Synonyms

3,4-dimethoxyethylbenzene | 4-Ethylveratrole | AKOS006273688 | C75755 | A832060 | SCHEMBL31428 | 1,2-dimethoxy-4-ethyl-benzen | 4-Ethyl-1,2-dimethoxybenzene | 4-ethyl-1,2-dimethoxy-benzene | FT-0606418 | DS-5261 | SY115240 | Benzene, 1,2-dimethoxy-4-ethyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

3,4-dimethoxyethylbenzene | 4-Ethylveratrole | AKOS006273688 | C75755 | A832060 | SCHEMBL31428 | 1,2-dimethoxy-4-ethyl-benzen | 4-Ethyl-1,2-dimethoxybenzene | 4-ethyl-1,2-dimethoxy-benzene | FT-0606418 | DS-5261 | SY115240 | Benzene, 1,2-dimethoxy-4-ethyl

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 488185803
• Kanonisches Lächeln: CCC1=CC(=C(C=C1)OC)OC
• IUPAC Name: 4-ethyl-1,2-dimethoxybenzene
• InChIKey: NEBQMYHKOREVAL-UHFFFAOYSA-N
• INCHI: 1S/C10H14O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h5-7H,4H2,1-3H3
• Isomere SMILES: CCC1=CC(=C(C=C1)OC)OC
• Molekulargewicht: 166.22
• Reaxy-Rn: 2251460
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2251460&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 166.220 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 166.099 Da
• Monoisotopic Mass: 166.099 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 125.000
• 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

Referenzen

1. Chao Wang, Zhongrong He, Chenxia Zhang, Liping Du, Dongguang Xiao, Yongquan Xu.  (2020)  Sensory and instrumental analysis-guided exploration of odor-active compounds recovery with oil during the water-boiling extraction of Pu-erh tea.  FOOD RESEARCH INTERNATIONAL,      [PMID:32517926] [10.1016/j.foodres.2020.109243]

2. Jiahao Lai, Bing Liu, Guihong Xiong, Qian Luo, Shuilin Song, Junxi Jiang, Hongyi Wei, Junwen Wang.  (2024)  Inhibitory mechanism of 4-ethyl-1,2-dimethoxybenzene produced by Streptomyces albidoflavus strain ML27 against Colletotrichum gloeosporioides.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:39277399] [10.1016/j.pestbp.2024.106086]