Ethyl lactate - Standard for GC, ≥99%(GC) , CAS No.97-64-3

CAS: 97-64-3 Cat. No.: E108228 分子式: C₅H₁₀O₃ 分子量: 118.13 Beilstein Registry Number: 3(4)643 EC番号: 202-598-0

GRADE & PURITY Standard for GC, ≥99%(GC)

Synonyms

2-Hydroxypropanoic acid ethyl ester | A9137 | CAS-97-64-3 | UNII-F3P750VW8I | EINECS 202-598-0 | FEMA No. 2440 | Lactic acid, ethyl ester | Lactate d'ethyle [French] | AI3-00395 | Ethyl 2-hydroxypropanoate # | ethyl d-lactate | Ethyl lactate (natural) | N

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

同義語

2-Hydroxypropanoic acid ethyl ester | A9137 | CAS-97-64-3 | UNII-F3P750VW8I | EINECS 202-598-0 | FEMA No. 2440 | Lactic acid, ethyl ester | Lactate d'ethyle [French] | AI3-00395 | Ethyl 2-hydroxypropanoate # | ethyl d-lactate | Ethyl lactate (natural) | N

仕様と純度

Standard for GC, ≥99%(GC)

保管条件

Room temperature,Desiccated

入荷

FedEx DG Service

等級

Standard for GC

純度

≥99%(GC)

名前と識別子

パブケム・シド

508812021

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508812021

カノニカル・スマイル

CCOC(=O)C(C)O

IUPAC Name

ethyl 2-hydroxypropanoate

InChIKey

LZCLXQDLBQLTDK-UHFFFAOYSA-N

INCHI

1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3

異性体SMILES

CCOC(=O)C(C)O

WGKドイツ

1

RTECS

OD5075000

UN番号

1192

包装グループ

III

分子量

118.13

Beilstein

3(4)643

Reaxy-Rn

1209448

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209448&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• External Descriptors: ethyl ester - secondary alcohol - lactate ester

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

化学的性質と物理的性質

• 屈折率: 1.4125
• 沸点（°C）: 154°C
• 融点（°C）: -25°C
• 分子量: 118.130 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 118.063 Da
• Monoisotopic Mass: 118.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 79.700
• 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