D-(-)-Mandelic Acid Ethyl Ester - ≥98%(GC) , CAS No.10606-72-1

CAS: 10606-72-1 Cat. No.: E156470 분자식: C₁₀H₁₂O₃ 분자량: 180.2

GRADE & PURITY ≥98%(GC)

Synonyms

_x000D_Ethyl (R)-(-)-Mandelate | MFCD00064248 | Benzeneacetic acid, .alpha.-hydroxy-, ethyl ester, (R)- | ethyl (2R)-2-hydroxy-2-phenylacetate | ethyl (R)-(-)-2-hydroxy-2-phenylacetate | CHEBI:78406 | SCHEMBL3266292 | Ethyl (R)-(-)-mandelate, 99%, optical

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

_x000D_Ethyl (R)-(-)-Mandelate | MFCD00064248 | Benzeneacetic acid, .alpha.-hydroxy-, ethyl ester, (R)- | ethyl (2R)-2-hydroxy-2-phenylacetate | ethyl (R)-(-)-2-hydroxy-2-phenylacetate | CHEBI:78406 | SCHEMBL3266292 | Ethyl (R)-(-)-mandelate, 99%, optical

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 488195918
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195918
• 정식 스마일: CCOC(=O)C(C1=CC=CC=C1)O
• IUPAC Name: ethyl (2R)-2-hydroxy-2-phenylacetate
• InChIKey: SAXHIDRUJXPDOD-SECBINFHSA-N
• INCHI: 1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/t9-/m1/s1
• 이성체 SMILES: CCOC(=O)[C@@H](C1=CC=CC=C1)O
• WGK 독일: 3
• 분자량: 180.2
• Reaxy-Rn: 975233
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=975233&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• 설명: 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: ethyl hydroxy(phenyl)acetate

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

화학 및 물리적 특성

• 특정 회전[α]: -138° (C=1,CHCl3)
• 발화점(°F): >235.4 °F
• 발화점(°C): >113 °C
• 녹는점(°C): 29 °C
• 분자량: 180.200 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 10606-72-1, the molecular formula is C10H12O3, and the molecular weight is 180.2 g/mol. InChIKey SAXHIDRUJXPDOD-SECBINFHSA-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.