Atrolactic Acid Hydrate - ≥97% , CAS No.515-30-0

CAS: 515-30-0 Cat. No.: A151548 Peso molecular: 166.18(anhy) Beilstein Registry Number: 10259 Número EC: 208-196-1

GRADE & PURITY ≥97%

Synonyms

(+/-)-atrolactic acid | Maybridge3_003173 | MFCD00067700 | phenyl lactic acid | alpha-Methylmandelic acid | DL-.alpha.-Phenyllactic acid | 2-Hydroxy-2-phenylpropanoicacid | 2-Hydroxy-2-phenylpropionic acid | DL-alpha-Phenyllactic acid | A1035 | Benzeneace

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

(+/-)-atrolactic acid | Maybridge3_003173 | MFCD00067700 | phenyl lactic acid | alpha-Methylmandelic acid | DL-.alpha.-Phenyllactic acid | 2-Hydroxy-2-phenylpropanoicacid | 2-Hydroxy-2-phenylpropionic acid | DL-alpha-Phenyllactic acid | A1035 | Benzeneace

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C1=CC=CC=C1)(C(=O)O)O
• IUPAC Name: 2-hydroxy-2-phenylpropanoic acid
• InChIKey: NWCHELUCVWSRRS-UHFFFAOYSA-N
• INCHI: 1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)
• Isómeros SMILES: CC(C1=CC=CC=C1)(C(=O)O)O
• CAS alternativo: 4607-38-9
• Peso molecular: 166.18(anhy)
• Beilstein: 10259
• Reaxy-Rn: 2208528
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208528&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Alpha hydroxy acids and derivatives Tertiary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxy acid - Monocyclic benzene moiety - Alpha-hydroxy acid - Tertiary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: 2-hydroxy monocarboxylic acid

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

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 91 °C
• Peso molecular: 166.170 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 173.000
• 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

Referencias

1. Shuran Zhang, Canying Li, Miao Wang, Hengping Xu, Yan Guo, Yonghong Ge.  (2023)  Phenyllactic acid maintains the storage quality of ‘Zaosu’ pears by regulating respiration and energy metabolism.  POSTHARVEST BIOLOGY AND TECHNOLOGY,      [PMID:] [10.1016/j.postharvbio.2023.112607]

2. Hengye Chen, Shuo Wang, Haiyan Fu, Fusheng Chen, Lei Zhang, Wei Lan, Jian Yang, Xiaolong Yang, Yuanbin She.  (2019)  A colorimetric sensor array for recognition of 32 Chinese traditional cereal vinegars based on “turn-off/on” fluorescence of acid-sensitive quantum dots.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:31685422] [10.1016/j.saa.2019.117683]

3. Zhuang Yibin, Jiang Jingjie, Bi Huiping, Yin Hua, Liu Shaowei, Liu Tao.  (2015)  Synthesis of rosmarinic acid analogues in Escherichia coli.  BIOTECHNOLOGY LETTERS,  38  (4): (619-627).  [PMID:26667131] [10.1007/s10529-015-2011-1]

4. Jiang Jingjie, Bi Huiping, Zhuang Yibin, Liu Shaowei, Liu Tao, Ma Yanhe.  (2015)  Engineered synthesis of rosmarinic acid in Escherichia coli resulting production of a new intermediate, caffeoyl-phenyllactate.  BIOTECHNOLOGY LETTERS,  38  (1): (81-88).  [PMID:26337416] [10.1007/s10529-015-1945-7]

5. Jun Huang, Gang Yang, Kewei Chen, Muying Du, Zsolt Zalán, Ferenc Hegyi, Jianquan Kan.  (2024)  Anti-fungal effects of lactic acid bacteria from pickles on the growth and sterigmatocystin production of Aspergillus versicolor.  INTERNATIONAL JOURNAL OF FOOD MICROBIOLOGY,      [PMID:38955023] [10.1016/j.ijfoodmicro.2024.110809]

6. Canying Li, Shuran Zhang, Yueruxin Jin, Jiaqi Liu, Miao Wang, Yan Guo, Hengping Xu, Yonghong Ge.  (2024)  Phenyllactic acid regulated salicylic acid biosynthesis and organic acids metabolism in Zaosu pear fruit during storage.  SCIENTIA HORTICULTURAE,      [PMID:] [10.1016/j.scienta.2024.112983]

7. Yang Liu, Luyao Fan, Bingxin Zhang, Zhenbo Xu, Thanapop Soteyome, Lei Yuan.  (2024)  The use of organic peroxyacids for the inactivation of calcium-mediated biofilm formation by Bacillus licheniformis.  INTERNATIONAL DAIRY JOURNAL,      [PMID:] [10.1016/j.idairyj.2024.106002]

8. Lin Yilin, Fang Meimei, Liu Jun, Zhang Yehui, Yu Yigang.  (2024)  Transcriptomic analyses of Vibrio parahaemolyticus under the phenyllactic acid stress.  APPLIED MICROBIOLOGY AND BIOTECHNOLOGY,  108  (1): (1-12).  [PMID:38285117] [10.1007/s00253-024-13024-6]