DL-Leucate d'éthyle - ≥98%(GC) , CAS No.10348-47-7

CAS: 10348-47-7 Cat. No.: E156251 Formule: C₈H₁₆O₃ Poids moléculaire: 160.21 Beilstein Registry Number: 3336 Numéro CE: 233-760-9

GRADE & PURITY ≥98%(GC)

Synonyms

Q5280140 | FT-0667994 | Pentanoic acid, 2-hydroxy-4-methyl-, ethyl ester, (2R)- | Ethyl 2-hydroxy-4-methylpentanoate | MFCD11975417 | DTXSID70908443 | ETHYL LEUCATE, (+/-)- | 2-Hydroxy-4-methylpentanoic acid ethyl ester | DL-2-Hydroxy-4-methylvaleric Acid

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Specifications

Synonymes

Q5280140 | FT-0667994 | Pentanoic acid, 2-hydroxy-4-methyl-, ethyl ester, (2R)- | Ethyl 2-hydroxy-4-methylpentanoate | MFCD11975417 | DTXSID70908443 | ETHYL LEUCATE, (+/-)- | 2-Hydroxy-4-methylpentanoic acid ethyl ester | DL-2-Hydroxy-4-methylvaleric Acid

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 504756689
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756689
• Sourires canoniques: CCOC(=O)C(CC(C)C)O
• IUPAC Name: ethyl 2-hydroxy-4-methylpentanoate
• InChIKey: QRHOWVDPHIXNEN-UHFFFAOYSA-N
• INCHI: 1S/C8H16O3/c1-4-11-8(10)7(9)5-6(2)3/h6-7,9H,4-5H2,1-3H3
• Isomères SMILES: CCOC(=O)C(CC(C)C)O
• Poids moléculaire: 160.21
• Beilstein: 3336
• Reaxy-Rn: 1722633
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722633&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriétés chimiques et physiques

• Sensibilité: heat sensitive
• Indice de réfraction: 1.42
• Point d'éclair (°C): 74 °C
• Point d'ébullition (°C): 185°C(lit.)
• Poids moléculaire: 160.210 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 160.11 Da
• Monoisotopic Mass: 160.11 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 121.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Références

1. Yu Mu, Jun Huang, Rongqing Zhou, Suyi Zhang, Hui Qin, Hanlan Tang, Qianglin Pan, Huifang Tang.  (2023)  Characterization of the differences in aroma-active compounds in strong-flavor Baijiu induced by bioaugmented Daqu using metabolomics and sensomics approaches.  FOOD CHEMISTRY,      [PMID:37247603] [10.1016/j.foodchem.2023.136429]

2. Ruifang Wang, Qingzhen Zhu, Lina Qiao, Jing Wang, Shengbao Feng, Hailang Sun, Ning Zhang, Baoguo Sun, Jinyuan Sun, Hehe Li, Haitao Chen.  (2023)  Characterization of the key aroma-active compounds in Qingke baijiu by application of the sensory approach.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2023.105196]

3. Min Li, Ping Zhan, Peng Wang, Honglei Tian, Jingzhang Geng, Lixia Wang.  (2022)  Characterization of aroma-active compounds changes of Xiecun Huangjius with different aging years based on odor activity values and multivariate analysis.  FOOD CHEMISTRY,      [PMID:36368097] [10.1016/j.foodchem.2022.134809]

4. Lin Yuan, Yunjie Li, Liuyan Zheng, Yifan Qin, Xin Zhang, Lijuan Ma, Huan Zhang, Liping Du.  (2025)  Impact of organic acids on aroma release in light-flavor Baijiu: A focus on key aroma-active compounds.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2025.106071]

5. Baoqing Bai, Shijie Niu, Junnan Li, Bin Feng, Tao Bo, Jinhua Zhang, Ying Zhang, Yukun Yang.  (2026)  Effects of fermentation with different coarse cereals on antioxidant capacity, flavor profiles and sensory characteristics of Huangjiu.  JOURNAL OF CEREAL SCIENCE,      [PMID:] [10.1016/j.jcs.2026.104389]