cis-Nerolidol - ≥94% , CAS No.3790-78-1

CAS: 3790-78-1 Cat. No.: C334009 Summenformel: C₁₅H₂₆O Molekulargewicht: 222.37 Beilstein Registry Number: 1724137 EG-Nummer: 205-540-2

GRADE & PURITY ≥94%

Synonyms

(Z)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol | 3,7,11-Trimethyl-1,6,10-dodecatriene-3-ol, (Z)-(S)-(+)- | InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11- | SCHEMBL7057492 | Nerolidol, cis-(+)- | NSC 60598 | (

Storage

Room temperature

Shipped In

Normal

Übersicht

cis-Nerolidol is a sesquiterpene alcohol that can be found in various plants. cis-Nerolidol exhibits antioxidant and antibacterial activities. cis-Nerolidol can also potentiate the action of antibiotics.

Specifications

Synonyme

(Z)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol | 3,7,11-Trimethyl-1,6,10-dodecatriene-3-ol, (Z)-(S)-(+)- | InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11- | SCHEMBL7057492 | Nerolidol, cis-(+)- | NSC 60598 | (

Spezifikationen & Reinheit

≥94%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥94%

Namen und Kennungen

• Pubchem Sid: 504763592
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763592
• Kanonisches Lächeln: CC(=CCCC(=CCCC(C)(C=C)O)C)C
• IUPAC Name: (6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
• InChIKey: FQTLCLSUCSAZDY-KAMYIIQDSA-N
• INCHI: 1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-
• Isomere SMILES: CC(=CCC/C(=C\CCC(C)(C=C)O)/C)C
• WGK Deutschland: 3
• Molekulargewicht: 222.37
• Beilstein: 1724137
• Reaxy-Rn: 1724135
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1724135&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Tertiary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Farsesane sesquiterpenoid - Sesquiterpenoid - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• 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

• Brechungsindex: n20/D 1.478(lit.)
• Siedepunkt (°C): 70° C (lit.) at 0.1 mmHg
• Molekulargewicht: 222.370 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 222.198 Da
• Monoisotopic Mass: 222.198 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 269.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referenzen

1. Qincao Chen, Penghui Yu, Ziyi Li, Yuhang Wang, Yafang Liu, Yin Zhu, Haihui Fu.  (2023)  Re-Rolling Treatment in the Fermentation Process Improves the Aroma Quality of Black Tea.  Foods,  12  (19): (3702).  [PMID:37835355] [10.3390/foods12193702]

2. Xiya Feng, Hongwei Wang, Zhirong Wang, Pimiao Huang, Jianquan Kan.  (2021)  Discrimination and characterization of the volatile organic compounds in eight kinds of huajiao with geographical indication of China using electronic nose, HS-GC-IMS and HS-SPME-GC–MS.  FOOD CHEMISTRY,      [PMID:34865919] [10.1016/j.foodchem.2021.131671]

3. Zhong-Sheng Tang, Xin-An Zeng, Margaret A. Brennan, Zhong Han, Debao Niu, Yujia Huo.  (2019)  Characterization of aroma profile and characteristic aromas during lychee wine fermentation.  JOURNAL OF FOOD PROCESSING AND PRESERVATION,  43  (8): (e14003).  [PMID:] [10.1111/jfpp.14003]

4. Qisi Lin, Miao Wang, Jinghua Li, Wanping Shi, Hui Wang, Chunjie Zhao.  (2014)  Analysis of Fatty Acids, Aliphatic Esters, and In Vitro Studies of Antioxidant and Antimicrobial Activities for Recineckea carnea and Tupistra chinensis from the Guizhou Province.  JOURNAL OF MEDICINAL FOOD,  17  (2): (236-243).  [PMID:24320985] [10.1089/jmf.2013.2855]