Acetic Acid trans-2-Hexenyl Ester - ≥98% , CAS No.2497-18-9

CAS: 2497-18-9 Cat. No.: H117236 Peso molecular: 142.2 Número EC: 219-680-7

GRADE & PURITY ≥98%

Synonyms

(2E)-hex-2-en-1-yl acetate | (E)-2-HEXENYL ACETATE [FCC] | 2-Hexen-1-ol, acetate, (E)- | CHEBI:141209 | 2-Hexenyl acetate | AI3-34393 | (E)-Hex-2-en-1-yl acetate | 2-Hexenol acetate | (2E)-2-Hexenyl acetate | DTXSID40879237 | (E)-2-HEXENYL ACETATE | (E)-A

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

(2E)-hex-2-en-1-yl acetate | (E)-2-HEXENYL ACETATE [FCC] | 2-Hexen-1-ol, acetate, (E)- | CHEBI:141209 | 2-Hexenyl acetate | AI3-34393 | (E)-Hex-2-en-1-yl acetate | 2-Hexenol acetate | (2E)-2-Hexenyl acetate | DTXSID40879237 | (E)-2-HEXENYL ACETATE | (E)-A

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated, Cool

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760988
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760988
• Sonrisas canónicas: CCCC=CCOC(=O)C
• IUPAC Name: [(E)-hex-2-enyl] acetate
• InChIKey: HRHOWZHRCRZVCU-AATRIKPKSA-N
• INCHI: 1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
• Isómeros SMILES: CCC/C=C/COC(=O)C
• WGK Alemania: 2
• RTECS: MP8425000
• Número ONU: 3272
• Peso molecular: 142.2
• Reaxy-Rn: 1721850
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721850&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.427
• Punto de inflamación (°F): 64°C
• Punto de inflamación (°C): 64°C
• Punto de ebullición (°C): 165°C
• Peso molecular: 142.200 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.099 Da
• Monoisotopic Mass: 142.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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

Referencias

1. Yun-Feng Ma, Lang-Lang Gong, Meng-Qi Zhang, Xuan-Zheng Liu, Huan Guo, J. Joe Hull, Gui-Jun Long, Hong Wang, Youssef Dewer, Fan Zhang, Ming He, Peng He.  (2023)  Two Antenna-Enriched Carboxylesterases Mediate Olfactory Responses and Degradation of Ester Volatiles in the German Cockroach Blattella germanica.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36920281] [10.1021/acs.jafc.2c08488]

2. Mei-Mei Wang, Gui-Jun Long, Huan Guo, Xuan-Zheng Liu, Hong Wang, Youssef Dewer, Zhao-Qun Li, Kun Liu, Qiu-Liang Zhang, Yun-Feng Ma, Peng He, Ming He.  (2021)  Two carboxylesterase genes in Plutella xylostella associated with sex pheromones and plant volatiles degradation.  PEST MANAGEMENT SCIENCE,  77  (6): (2737-2746).  [PMID:33527628] [10.1002/ps.6302]

3. Wenyi Duan, Zhenyu Yao, Chengkui Qiao, Junren Meng, Shihang Sun, Lei Pan, Liang Niu, Guochao Cui, Zhiqiang Wang, Wenfang Zeng.  (2025)  Combined volatile metabolome and transcriptome analysis of 60 peach cultivars provide new insights into the formation of aroma and the identification of associated genes.  Horticultural Plant Journal,      [PMID:] [10.1016/j.hpj.2024.12.005]

4. Xiaoying Li, Chunsheng Liu, Junkai Wu, Kai Su, Xiao Xiao, Libin Zhang, B. Loye Eberhart, Caixia Chen, Fuhang Song.  (2025)  Comprehensive investigation on the dynamic changes of volatile organic compounds in three peach cultivars during fruit development.  FOOD RESEARCH INTERNATIONAL,      [PMID:40022387] [10.1016/j.foodres.2025.115866]

5. Xiaoying Li, Chunsheng Liu, Junkai Wu, Xiao Xiao, Libin Zhang, Caixia Chen, Annette S. Wilson, Fuhang Song.  (2024)  Ester-related volatile compounds reveal the diversity and commonalities of different types of late-ripening peaches.  JOURNAL OF FOOD SCIENCE,  89  (3): (1485-1497).  [PMID:38317483] [10.1111/1750-3841.16943]

6. Xiaoying Li, Gang Li, Haijing Wang, Chunsheng Liu, Chunrui Rong, Fuhang Song, Caixia Chen, Junkai Wu.  (2025)  Characterization of volatile flavor profiles in three peach cultivars during postharvest storage at various temperatures using HS-SPME-GC–MS.  Food Chemistry-X,      [PMID:40497035] [10.1016/j.fochx.2025.102554]

7. Mei Chen, Fengyun Tian, Youshudi Xie, Jie Ma, Yanfen Yang, Changli Yang, Xinrong Zhou, Tian Deng, Houhong Xiao, Xue Dong, Dingli Chen, Xinlong Dai, Zhi zhou, Shimao Fang.  (2025)  A comprehensive study of carboxylesterases involved in the degradation of volatile esters in horticultural crops.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2025.122039]