Linalool oxide - Nature, ≥95% , CAS No.60047-17-8

CAS: 60047-17-8 Cat. No.: L433051 Fórmula: C₁₀H₁₈O₂ Peso molecular: 170.25 Beilstein Registry Number: 117527 Número EC: 262-038-6

GRADE & PURITY Native, ≥95%

Synonyms

5-Ethenyltetrahydro-alpha,alpha,5-trimethyl-2-furanmethanol | cis-Linalyl oxide (furanoid) | 2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl- | NSC 93936 | cis-Linalool-3,6-oxide | Linalool oxide, natural, >=95% | SCHEMBL295274 | 2-((2R,5

Storage

Room temperature

Descripción general

General Description

Linalool oxide is an oxygenated monoterpene that has been reported in the volatile aroma fraction of tea leaves, osmanthus flowers, mangaba fruit, basil and thyme leaves.

Specifications

Sinónimos

5-Ethenyltetrahydro-alpha,alpha,5-trimethyl-2-furanmethanol | cis-Linalyl oxide (furanoid) | 2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl- | NSC 93936 | cis-Linalool-3,6-oxide | Linalool oxide, natural, >=95% | SCHEMBL295274 | 2-((2R,5

Especificaciones y pureza

Nature, ≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Native

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1(CCC(O1)C(C)(C)O)C=C
• IUPAC Name: 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol
• InChIKey: BRHDDEIRQPDPMG-UHFFFAOYSA-N
• INCHI: 1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3
• Isómeros SMILES: CC1(CCC(O1)C(C)(C)O)C=C
• WGK Alemania: 2
• RTECS: OI7782000
• CAS alternativo: 1365-19-1
• Peso molecular: 170.25
• Beilstein: 117527
• Reaxy-Rn: 117527
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=117527&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrahydrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrahydrofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydrofurans
• Alternative Parents: Tertiary alcohols Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Tetrahydrofuran - Tertiary alcohol - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.4510 to 1.4540
• Punto de inflamación (°F): 163.4 °F
• Punto de inflamación (°C): 73°C
• Punto de ebullición (°C): 78°C/13mmHg
• Peso molecular: 170.250 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.131 Da
• Monoisotopic Mass: 170.131 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 186.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Sijia Zhan, Zhibin Liu, Weiying Su, Chih-Cheng Lin, Li Ni.  (2023)  Role of roasting in the formation of characteristic aroma of wuyi rock tea.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2023.109614]

2. Shuyan Wang, Feng Zhao, Wenxi Wu, Pengjie Wang, Naixing Ye.  (2020)  Comparison of Volatiles in Different Jasmine Tea Grade Samples Using Electronic Nose and Automatic Thermal Desorption-Gas Chromatography-Mass Spectrometry Followed by Multivariate Statistical Analysis.  MOLECULES,  25  (2): (380).  [PMID:31963359] [10.3390/molecules25020380]

3. Xuewei Jia, Yuan Gao, Hui Xi, Chun Cui, Xiao Yang, Baojiang He, Chunping Xu, Mingqi Gao, Tianxiao Li.  (2025)  A flavor imitation method for Osmanthus aroma based on molecular docking screening and odor activity value analysis.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.117697]

4. Tianyu Dong, Zilong Tian, Shuwei Wang, Jie Sun, Haitao Chen, Shuqi Wang, Baoguo Sun.  (2024)  Identification of key off-flavor compounds during storage of fried pepper (Zanthoxylum bungeanum Maxim.) oils by sensory-directed flavor analysis and partial least squares regression (PLSR).  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106268]

5. Wensong Chen, Wangxin Liu, Zhibin Liu, Daoliang Wang, Xiaoye Lan, Sijia Zhan, Xiaoxiao Feng, Yuan Liu, Li Ni.  (2025)  Insight into the mechanism of roasting-induced characteristic aroma formation in Wuyi rock tea using an “in-leaf” model with isotopic labeling.  FOOD CHEMISTRY,      [PMID:39914349] [10.1016/j.foodchem.2025.143174]

6. Zhengyi Mao, Wen Zhao, Dongping Chen, Zhiyan Jiang, Qiang Liu, Jiayun Li, Yunxuan Wu, Nannan Lv, Jianting Fan.  (2025)  Cyetpyrafen, chlorfenapyr and spirodiclofen affect the olfactory recognition of Dastarcus helophoroides by acting on DhelOBP4 and DhelOBP21.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:40915828] [10.1016/j.pestbp.2025.106568]

7. Peng Zhang, Weiwei Wu, Bangxing Ma, Changkun Zheng, Qi Lin, Xinyi Zhao, Yan Huang, Fuming Lin, Weijiang Sun.  (2025)  Revealing the characteristic honey-like aroma formation in honey-scented black tea via molecular sensory analysis.  FOOD CHEMISTRY,      [PMID:40848345] [10.1016/j.foodchem.2025.146023]

8. Li-Hua Xie, Tong Liu, Wen-Qiang Yang, Yu-Gu Xie, Si-Yu Zhao, Xiao-Guang Chen.  (2025)  Liu-pao Tea as a Source of Botanical Oviposition Attractants for Aedes Mosquitoes.  Insects,  16  (10): (1065).  [PMID:41148933] [10.3390/insects16101065]

9. Tianyu Dong, Shuwei Wang, Panpan Wu, Jie Sun, Haitao Chen, Shuqi Wang.  (2026)  Unraveling the influence of storage condition on off-flavor generation in fried pepper (Zanthoxylum bungeanum Maxim.) oil during storage through molecular sensory science and simulation experiment.  FOOD CHEMISTRY,      [PMID:41707273] [10.1016/j.foodchem.2026.148415]