laevulinic acid - 10mM in DMSO , CAS No.123-76-2

CAS: 123-76-2 Cat. No.: L421026 Fórmula: C₅H₈O₃ Peso molecular: 116.12 Beilstein Registry Number: 506796 Número CE: 204-649-2

GRADE & PURITY 10mM in DMSO

Synonyms

Z104477318 | Laevulinic acid | NCGC00259034-01 | 4-ketovalerate | DTXCID701648 | EINECS 204-649-2 | STK802043 | Tox21_201483 | g-Ketovaleric acid | BBL027404 | NSC3716 | NSC-3716 | DTXSID8021648 | FT-0627815 | InChI=1/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Levulinic acid, an organic acid, is mainly used as a cigarette additive.
Biochemical research. Make esters and drugs. It is an inhibitor of chlorophyll synthesis.

Levulinic acid is a precursor for the synthesis of useful intermediates such as γ-valerolactone, ethyl levulinate, pentanoic acid and 2-methyl-tetrahydrofuran. Derivatization and esterification of levulinic acid results in potential biofuels.
It can also be used in: The preparation of catalytic composite to synthesize 5-hydroxymethylfurfural and furfural. The synthesis of a commercial fragrance, fraistone. The synthesis of pyrrolidone derivatives via reductive amination. The total synthesis of mycobacterial arabinogalactan.

Specifications

Sinónimos

Z104477318 | Laevulinic acid | NCGC00259034-01 | 4-ketovalerate | DTXCID701648 | EINECS 204-649-2 | STK802043 | Tox21_201483 | g-Ketovaleric acid | BBL027404 | NSC3716 | NSC-3716 | DTXSID8021648 | FT-0627815 | InChI=1/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

Pubchem Sid

528769410

Sorrisos canónicos

CC(=O)CCC(=O)O

IUPAC Name

4-oxopentanoic acid

InChIKey

JOOXCMJARBKPKM-UHFFFAOYSA-N

INCHI

1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)

SMILES isoméricas

CC(=O)CCC(=O)O

WGK Alemanha

3

RTECS

OI1575000

Número UN

3261

Peso molecular

116.12

Beilstein

506796

Reaxy-Rn

506796

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506796&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Keto acids and derivatives
      • Subclass Gamma-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Keto acids and derivatives
• Subclass: Gamma-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma-keto acids and derivatives
• Alternative Parents: Short-chain keto acids and derivatives Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Gamma-keto acid - Short-chain keto acid - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
• External Descriptors: Oxo fatty acids

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

Alvos associados (humanos)

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light Sensitive
• Ponto de congelamento (°C): 29 °C
• Índice de refração: 1.44
• Ponto de inflamação (°F): 278°F
• Ponto de inflamação (°C): 137℃
• Ponto de ebulição (°C): 246°C
• Ponto de fusão (°C): 33-35°C
• Peso molecular: 116.110 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 116.047 Da
• Monoisotopic Mass: 116.047 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 106.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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