Ácido DL-2-hidroxibutírico (contiene producto de esterificación polimolecular) - ≥95% , CAS No.600-15-7

CAS: 600-15-7 Cat. No.: D298806 Peso molecular: 104.11 Número EC: 209-985-3

GRADE & PURITY ≥95%

Synonyms

DTXSID8041903 | Butanoic acid, 2-hydroxy- | SCHEMBL6963 | AKOS016053528 | LMFA01050004 | Q3288610 | SY066872 | AKOS000121162 | Hydroxybutyric acid | -hydroxybutyric acid | O0ADR0I4H5 | alpha-hydroxybutanoic acid | Butyric acid, 2-hydroxy- | FT-0773381 | S

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

DTXSID8041903 | Butanoic acid, 2-hydroxy- | SCHEMBL6963 | AKOS016053528 | LMFA01050004 | Q3288610 | SY066872 | AKOS000121162 | Hydroxybutyric acid | -hydroxybutyric acid | O0ADR0I4H5 | alpha-hydroxybutanoic acid | Butyric acid, 2-hydroxy- | FT-0773381 | S

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488181295
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181295
• Sonrisas canónicas: CCC(C(=O)O)O
• IUPAC Name: 2-hydroxybutanoic acid
• InChIKey: AFENDNXGAFYKQO-UHFFFAOYSA-N
• INCHI: 1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
• Isómeros SMILES: CCC(C(=O)O)O
• Peso molecular: 104.11
• Reaxy-Rn: 878248
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878248&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Hydroxy acids and derivatives
      • Subclass Alpha hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Hydroxy acids and derivatives
• Subclass: Alpha hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha hydroxy acids and derivatives
• Alternative Parents: Fatty acids and conjugates Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid - Alpha-hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.
• External Descriptors: Hydroxy fatty acids

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

Objetivos asociados (humanos)

DCXR Tbio L-xylulose reductase (11 Activities)

Discover Target: DCXR

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

SLC16A1 Tchem Monocarboxylate transporter 1 (146 Activities)

Discover Target: SLC16A1

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

SLC16A3 Tchem Monocarboxylate transporter 4 (196 Activities)

Discover Target: SLC16A3

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

Objetivos asociados (no humanos)

HD1 Histone deacetylase (38 Activities)

Discover Target: HD1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly)
• Sensibilidad: Heat sensitive；Hygroscopic
• Punto de ebullición (°C): 260°C
• Punto de fusión (°C): 43 °C
• Peso molecular: 104.100 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 104.047 Da
• Monoisotopic Mass: 104.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 69.300
• 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

Referencias

1. Yifan Wei, Xiumei Zheng, Zili Huang, Chunxiao Mou, Xiaobo Xie, Yi Lv.  (2025)  In-Capillary Chemoselective Tagging-Facilitated Direct nESI-MS Profiling of Carboxyl- and Carbonyl-Containing Metabolites in Urine.  ANALYTICAL CHEMISTRY,      [PMID:41077679] [10.1021/acs.analchem.5c04351]

2. Dongqing Li, Zhaohui Chen, En Zhao, Yanmei Zheng, Lin Dong, Wenjun Zhang, Zupeng Chen.  (2025)  Efficient photocatalytic conversion of biomass-derived hydroxyl acids to amino acids over Ni/CdS.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:41240565] [10.1016/j.jcis.2025.139400]

3. Zhiye Yan, Weiwei Tang, Bin Li.  (2025)  Expanding Metabolome Coverage in LC–MS/MS Analysis through Hydralazine-Based Multifunctional Derivatization.  ANALYTICAL CHEMISTRY,      [PMID:41277254] [10.1021/acs.analchem.5c02101]