DL-Mandelic acid - ≥99% , CAS No.611-72-3

CAS: 611-72-3 Cat. No.: D304135 Formule: C₈H₈O₃ Poids moléculaire: 152.15 Numéro CE: 210-277-1

GRADE & PURITY ≥99%

Synonyms

s3363 | (+/-)-alpha-Hydroxybenzeneacetic acid | alpha-Hydroxybenzeneacetic acid | (.+/-.)-Mandelic acid | CHEBI:35825 | EINECS 202-007-6 | MANDELIC ACID | Phenylacetic acid, alpha-hydroxy- | acidomandelico | hyroxyphenylacetic acid | Kyselina mandlova | U

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonymes

s3363 | (+/-)-alpha-Hydroxybenzeneacetic acid | alpha-Hydroxybenzeneacetic acid | (.+/-.)-Mandelic acid | CHEBI:35825 | EINECS 202-007-6 | MANDELIC ACID | Phenylacetic acid, alpha-hydroxy- | acidomandelico | hyroxyphenylacetic acid | Kyselina mandlova | U

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 504750482
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750482
• Sourires canoniques: C1=CC=C(C=C1)C(C(=O)O)O
• IUPAC Name: 2-hydroxy-2-phenylacetic acid
• InChIKey: IWYDHOAUDWTVEP-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
• Isomères SMILES: C1=CC=C(C=C1)C(C(=O)O)O
• Poids moléculaire: 152.15
• Reaxy-Rn: 510011
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=510011&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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 Secondary 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 - Secondary 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
• Description: 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: benzenes - 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°C): 162.6ºC
• Point d'ébullition (°C): 321.8ºC
• Point de fusion (°C): 120-122ºC
• Poids moléculaire: 152.150 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 611-72-3, the molecular formula is C8H8O3, and the molecular weight is 152.15 g/mol. InChIKey IWYDHOAUDWTVEP-UHFFFAOYSA-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.