Butyl lactate - ≥98% , CAS No.138-22-7

CAS: 138-22-7 Cat. No.: B111190 Formula: C₇H₁₄O₃ Peso molecolare: 146.18 Beilstein Registry Number: 3(4)649 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488180872

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

CCCCOC(=O)C(C)O

WGK Germania

2

RTECS

OD4025000

Numero UN

1993

Gruppo di imballaggio

I

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water; Miscible with Alcohol,Ether
• Indice di rifrazione: 1.421
• Rotazione specifica [α]: -10.0 to -13.0 deg(neat)
• Punto di infiammabilità (°F): 91℃
• Punto di infiammabilità (°C): 91℃
• Punto di ebollizione (°C): 185-187 °C
• Punto di fusione (°C): -28°C
• Peso molecolare: 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