Lactato de butilo - ≥98% , CAS No.138-22-7

CAS: 138-22-7 Cat. No.: B111190 Fórmula: C₇H₁₄O₃ Peso molecular: 146.18 Beilstein Registry Number: 3(4)649 Número CE: 205-316-4

GRADE & PURITY ≥98%

Synonyms

Butyl alpha -hydroxypropionate | BUTYL LACTATE | BUTYL LACTATE [INCI] | Butylester kyseliny mlecne | Propanoic acid, 2-hydroxy-, butyl ester | D70202 | NSC6533 | NSC-6533 | Lactic acid-butyl ester | AI3-00397 | Lactic acid, butyl ester | SCHEMBL26742 | To

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Butyl alpha -hydroxypropionate | BUTYL LACTATE | BUTYL LACTATE [INCI] | Butylester kyseliny mlecne | Propanoic acid, 2-hydroxy-, butyl ester | D70202 | NSC6533 | NSC-6533 | Lactic acid-butyl ester | AI3-00397 | Lactic acid, butyl ester | SCHEMBL26742 | To

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488180872

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180872

Sorrisos canónicos

CCCCOC(=O)C(C)O

IUPAC Name

butyl 2-hydroxypropanoate

InChIKey

MRABAEUHTLLEML-UHFFFAOYSA-N

INCHI

1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3

SMILES isoméricas

CCCCOC(=O)C(C)O

WGK Alemanha

2

RTECS

OD4025000

Número UN

1993

Grupo de embalagem

I

Peso molecular

146.18

Beilstein

3(4)649

Reaxy-Rn

1721597

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721597&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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: Not available

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

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water; Miscible with Alcohol,Ether
• Índice de refração: 1.421
• Rotação específica [α]: -10.0 to -13.0 deg(neat)
• Ponto de inflamação (°F): 91℃
• Ponto de inflamação (°C): 91℃
• Ponto de ebulição (°C): 185-187 °C
• Ponto de fusão (°C): -28°C
• Peso molecular: 146.180 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 146.094 Da
• Monoisotopic Mass: 146.094 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• 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