DL-Lactide - ≥98% , CAS No.95-96-5

CAS: 95-96-5 Cat. No.: S161100 분자식: C₆H₈O₄ 분자량: 144.13 Beilstein Registry Number: 19(3/4)1927 EC 번호: 202-468-3

GRADE & PURITY ≥98%

Synonyms

D81885 | FT-0625454 | MFCD00011685 | NSC403080 | NSC-403080 | AS-17933 | NCGC00255679-01 | p-Dioxane-2, 3,6-dimethyl- | Propanoic acid, 2-hydroxy-, bimol. cyclic ester | 7EH08MWO6M | AI3-05059 | SY062065 | 2,5-DIMETHYL-3,6-DIOXO-1,4-DIOXANE | A826719 | La

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

3,6-Dimethyl-1,4-dioxane-2,5-dione (or rac-lactide), is the 50:50 racemic mixture of D- and L-Lactide. Rac-lactide is a lactone derived from lactic acid that has attracted great interest in academia and commercial applications, as it is derived from abundant renewable resources. Rac-lactide can be ready polymerized via ring-opening polymerization, using a variety of metal or organocatalysts, yielding poly(D,L-lactide). While the resulting polymer is generally amorphous, the use of stereospecific catalysts can lead to heterotactic PLA, which exhibits some degree of crystallinity.

Application

DL-Lactide is used to produce 2-hydroxy-propionic acid 1-(1-phenyl-ethoxycarbonyl)-ethyl ester. It acts as an important raw material and an intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyes. It is involved in enzymatic alcoholysis to produce both alkyl (R)-lactates and alkyl (S,S)-lactyllactates.

Specifications

동의어

D81885 | FT-0625454 | MFCD00011685 | NSC403080 | NSC-403080 | AS-17933 | NCGC00255679-01 | p-Dioxane-2, 3,6-dimethyl- | Propanoic acid, 2-hydroxy-, bimol. cyclic ester | 7EH08MWO6M | AI3-05059 | SY062065 | 2,5-DIMETHYL-3,6-DIOXO-1,4-DIOXANE | A826719 | La

사양 및 순도

≥98%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥98%

이름과 식별자

Pubchem Sid

508810483

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810483

정식 스마일

CC1C(=O)OC(C(=O)O1)C

IUPAC Name

3,6-dimethyl-1,4-dioxane-2,5-dione

InChIKey

JJTUDXZGHPGLLC-UHFFFAOYSA-N

INCHI

1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3

이성체 SMILES

CC1C(=O)OC(C(=O)O1)C

WGK 독일

2

RTECS

JH1100000

분자량

144.13

Beilstein

19(3/4)1927

Reaxy-Rn

82121

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=82121&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Dioxanes
      • Subclass 1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Dioxanes
• Subclass: 1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dioxanes
• Alternative Parents: Dicarboxylic acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Para-dioxane - Lactone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
• External Descriptors: a small molecule

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

• 용해성: Slightly soluble in water, decomposes upon contact with water; Soluble in methanol and acetone
• 감도: Moisture sensitive
• 끓는점(°C): 142 °C/8 mmHg
• 녹는점(°C): 123.0-127.0℃
• 분자량: 144.120 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 144.042 Da
• Monoisotopic Mass: 144.042 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 155.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1