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Nerol - 97%, high purity , CAS No.106-25-2
Description générale
Synonymes
(cis)3,7-dimethyl-2,6-Octadien-1-ol | HY-N7063 | W-108769 | (Z)-Geraniol | 2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)- | HMS3886M07 | NSC-46105 | Z-Geraniol | (2Z)-3,7-Dimethyl-2,6-octadien-1-ol # | (2E)3,7-dimethyl-2,6-octadien-1-ol | MFCD00063204 | .BETA.-N
Spécifications et pureté
≥97%
Expédié en
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Classe
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Acyclic monoterpenoids
Alternative Parents
Fatty alcohols Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Acyclic monoterpenoid - Fatty alcohol - Fatty acyl - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
External Descriptors
Acyclic monoterpenoids
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.
Cibles associées (humaines)
Cibles associées (non humaines)
Mécanismes d'action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
Références
Noms et identifiants
Pubchem Sid
488190976
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488190976
IUPAC Name
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
INCHI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
InChIKey
GLZPCOQZEFWAFX-YFHOEESVSA-N
Smiles
CC(=CCCC(=CCO)C)C
Isomères SMILES
CC(=CCC/C(=C\CO)/C)C
WGK Allemagne
2
RTECS
RG5840000
Numéro ONU
1993
Groupe d'emballage
I
Poids moléculaire
154.25
Beilstein
1722455
Reaxy-Rn
8132082
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8132082&ln=
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
Propriétés chimiques et physiques
Solubilité
Insoluble in water; Soluble in Alcohol
Indice de réfraction
1.472-1.479
Point d'éclair (°F)
224.6 °F
Point d'éclair (°C)
108 °C
Point d'ébullition (°C)
103-105°C
Poids moléculaire
154.250 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Exact Mass
154.136 Da
Monoisotopic Mass
154.136 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
150.000
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
Citations of This Product
1.
Rumeng Li, Bo Yao, Haichun Zeng.
(2024)
Identification and Characterization of a Nerol Synthase in Fungi. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,
72
(1):
(416–423).
2.
Jie-Qiong Wang, Zhuo-Shun Dai, Ying Gao, Fang Wang, Jian-Xin Chen, Zhi-Hui Feng, Jun-Feng Yin, Liang Zeng, Yong-Quan Xu.
(2023)
Untargeted metabolomics coupled with chemometrics for flavor analysis of Dahongpao oolong tea beverages under different storage conditions. LWT-FOOD SCIENCE AND TECHNOLOGY,
185
(115128).
3.
Meiqin Li, Zhihui Feng, Fang Wang, Jianxin Chen, Jie Fan, Jieqiong Wang, Zhengquan Liu, Junfeng Yin.
(2023)
Effects of brewing water on the volatile composition of tea infusions. FOOD CHEMISTRY,
429
(136971).
4.
Yujiao Cheng, Leng Han, Linhua Huang, Xiang Tan, Houjiu Wu, Guijie Li.
(2023)
Association between flavor composition and sensory profile in thermally processed mandarin juices by multidimensional gas chromatography and multivariate statistical analysis. FOOD CHEMISTRY,
419
(136026).
5.
Shuzhen Yang, Min He, Dongmei Li, John Shi, Litao Peng, Liu Jinjing.
(2023)
Antifungal activity of 40 plant essential oil components against Diaporthe fusicola from postharvest kiwifruits and their possible action mode. INDUSTRIAL CROPS AND PRODUCTS,
194
(116102).
6.
Cong Liu, Chao Wang, Tingting Zheng, Miaomiao Zhao, Wanying Gong, Qiaomei Wang, Liang Yan, Wenjie Zhang.
(2022)
Characterization of Key Odor-Active Compounds in Sun-Dried Black Tea by Sensory and Instrumental-Directed Flavor Analysis. Foods,
11
(12):
(1740).
7.
Xuezhi Li, Man Liu, Tinggong Huang, Kunlong Yang, Sihan Zhou, Yongxin Li, Jun Tian.
(2021)
Antifungal effect of nerol via transcriptome analysis and cell growth repression in sweet potato spoilage fungi Ceratocystis fimbriata. POSTHARVEST BIOLOGY AND TECHNOLOGY,
171
(111343).
8.
Yinhui Yang, Meiling Qi, Jinliang Wang.
(2018)
Separation performance of a star-shaped truxene-based stationary phase functionalized with peripheral 3,4-ethylenedioxythiophene moieties for capillary gas chromatography. JOURNAL OF CHROMATOGRAPHY A,
1578
(67).
9.
Tian Jun, Gan Yeyun, Pan Chao, Zhang Man, Wang Xueyan, Tang Xudong, Peng Xue.
(2018)
Nerol-induced apoptosis associated with the generation of ROS and Ca2+ overload in saprotrophic fungus Aspergillus flavus. APPLIED MICROBIOLOGY AND BIOTECHNOLOGY,
102
(15):
(6659-6672).
10.
Yinhui Yang, Zhengfeng Chang, Xiaohong Yang, Meiling Qi, Jinliang Wang.
(2018)
Selectivity of hexaphenylbenzene-based hydrocarbon stationary phase with propeller-like conformation for aromatic and aliphatic isomers. ANALYTICA CHIMICA ACTA,
1016
(69).
11.
Duan-Jian Tao, Yan Dong, Zhi-Jun Cao, Feng-Feng Chen, Xiang-Shu Chen, Kuan Huang.
(2016)
Tuning the acidity of sulfonic functionalized ionic liquids for highly efficient and selective synthesis of terpene esters. JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY,
41
(122).
12.
Dianqi Yang, Xuxu Li, Chenyu Zhang, Hong Liang, Xiaoqiang Ma.
(2024)
Bioproduction of Geranyl Esters by Integrating Microbial Biosynthesis and Enzymatic Conversion. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,
72
(44):
(24677-24686).
13.
Zehao Li, Wanying Wang, Guoguo Wang, Yingjie Feng, Yan Chen, Zhijian Li, Lulu Zhang, Jinchu Yang.
(2024)
Heterologous expression and characterization of the carveol dehydrogenase from Klebsiella sp. O852. Molecular Catalysis,
561
(114158).
14.
Yanwei Lai, Dashi Deng, Simin Yuan, Xiaocen Liu, Qifang Lei, Guangzhi Li.
(2024)
Intravesical cascade delivery of active monoterpene coumarin for bladder cancer therapy. Materials Advances,
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14 Citations
D2521243