structure of Solketal

Solketal

CAS No.: 100-79-8
M. Wt: 132.158
M. Fa: C6H12O3
InChI Key: RNVYQYLELCKWAN-UHFFFAOYSA-N
Appearance: Colorless to Almost colorless clear liquid

Names and Identifiers of Solketal

CAS Number

100-79-8

EC Number

202-888-7

MDL Number

MFCD00063238

IUPAC Name

(2,2-dimethyl-1,3-dioxolan-4-yl)methanol

InChI

InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3

InChIKey

RNVYQYLELCKWAN-UHFFFAOYSA-N

Canonical SMILES

CC1(OCC(O1)CO)C

UNII

3XK098O8ZW

UNSPSC Code

12352100

Physical and chemical properties of Solketal

Acidity coefficient

14.20±0.10(Predicted)

Boiling Point

188-189 °C

BRN

104465

Density

Relative density (water = 1): 1.06

Exact Mass

132.078644

Flash Point

80 °C c.c.

Index of Refraction

1.424

LogP

0.06

Melting Point

-26.4 °C

Merck

14,5213

Molecular Formula

C6H12O3

Molecular Weight

132.158

pH

4.0-7.5 (H2O)

PSA

38.69000

Solubility

Solubility in water: miscible

Storage condition

2-8°C

Vapour density

Relative vapor density (air = 1): 4.6

Vapour Pressure

107.0 [mmHg]

Water Solubility

miscible

Safety Information of Solketal

Pictograms

Signal Word

Warning

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of Solketal

Solketal has a wide range of applications across various industries:

  • Solvent in Industrial Formulations: Used in paints, inks, and cleaning products due to its excellent solvent properties.
  • Pharmaceuticals: Acts as an additive in injectable formulations and ointments.
  • Cosmetics: Utilized in creams and lotions for its moisturizing properties.
  • Fuel Additive: Employed to reduce hydrocarbon emissions in fuels.

Interaction Studies of Solketal

Interaction studies involving solketal primarily focus on its role as a solvent and its compatibility with various chemical compounds. Research indicates that solketal can effectively dissolve a range of organic compounds while maintaining stability under different conditions. Its interactions with catalysts during the acetalization process also highlight its ability to influence reaction kinetics positively.

Physical sample testing spectrum (NMR) of Solketal

Physical sample testing spectrum (NMR) of Solketal

Retrosynthesis analysis of Solketal

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    Cas:100-79-8
  • Route#2

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  • Route#3

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