Neryl acetate - ≥95% , CAS No.141-12-8

CAS: 141-12-8 Cat. No.: N117686 Formula: C₁₂H₂₀O₂ Peso molecolare: 196.29 Beilstein Registry Number: 1722814 Numero EC: 205-459-2

GRADE & PURITY ≥95%

Synonyms

AKOS016009834 | DTXCID0027068 | Nerol acetate | NERYL ACETATE [FHFI] | Neryl acetate, analytical standard | NSC72031 | N0463 | (2Z)-3,7-dimethylocta-2,6-dien-1-yl acetate | 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)- | BRN 1722814 | 2-02-00-00153 (Bei

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AKOS016009834 | DTXCID0027068 | Nerol acetate | NERYL ACETATE [FHFI] | Neryl acetate, analytical standard | NSC72031 | N0463 | (2Z)-3,7-dimethylocta-2,6-dien-1-yl acetate | 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)- | BRN 1722814 | 2-02-00-00153 (Bei

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 504760582
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760582
• Sorrisi canonici: CC(=CCCC(=CCOC(=O)C)C)C
• IUPAC Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
• InChIKey: HIGQPQRQIQDZMP-FLIBITNWSA-N
• INCHI: 1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
• Isomeri SMILES: CC(=CCC/C(=C\COC(=O)C)/C)C
• WGK Germania: 2
• RTECS: RG5921000
• Peso molecolare: 196.29
• Beilstein: 1722814
• Reaxy-Rn: 8406666
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8406666&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty alcohol esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohol esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohol esters
• Alternative Parents: Acyclic monoterpenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Monoterpenoid - Acyclic monoterpenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
• External Descriptors: Wax monoesters

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

Obiettivi associati (umani)

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)

Discover Target: Trpm8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.46
• Punto di infiammabilità (°F): 210.2 °F
• Punto di infiammabilità (°C): 98℃
• Punto di ebollizione (°C): 134°C
• Peso molecolare: 196.290 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 196.146 Da
• Monoisotopic Mass: 196.146 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 233.000
• 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

Riferimenti

1. Xiangying Yu, Xiaochun Chen, Yuting Li, Lin Li.  (2022)  Effect of Drying Methods on Volatile Compounds of Citrus reticulata Ponkan and Chachi Peels as Characterized by GC-MS and GC-IMS.  Foods,  11  (17): (2662).  [PMID:36076849] [10.3390/foods11172662]

2. Guanjun Nan, Lina Zhang, Zhengzheng Liu, Yu Liu, Yan Du, Hongwen Zhao, Hongxia Zheng, Rong Lin, Guangde Yang, Shaohua Zheng.  (2021)  Quantitative Determination of p-Cymene, Thymol, Neryl Acetate, and β-Caryophyllene in Different Growth Periods and Parts of Eupatorium fortunei Turcz. by GC-MS/MS.  Journal of Analytical Methods in Chemistry,      [PMID:34381625] [10.1155/2021/2174667]

3. Xiaoming Zeng, Hao He, Liejiang Yuan, Haizhi Wu, Cong Zhou.  (2024)  Determination of 24 Trace Aromatic Substances in Rosemary Hydrosol by Dispersed Liquid–Liquid Microextraction–Gas Chromatography.  Processes,  12  (3): (498).  [PMID:] [10.3390/pr12030498]

4. Qi Lin, Cheng Peng, Kunpeng Yu, Yanling Lin, Yongquan Xu, Lijun Li, Hui Ni, Feng Chen.  (2024)  The mining of thermostable β-glucosidase for tea aroma enhancement under brewing conditions.  FOOD CHEMISTRY,      [PMID:39089040] [10.1016/j.foodchem.2024.140624]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 141-12-8, the molecular formula is C12H20O2, and the molecular weight is 196.29 g/mol. InChIKey HIGQPQRQIQDZMP-FLIBITNWSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.