804520-00-1

Basic information

• Product Name: 1,3-Pentanediol,1-cyclohexyl-2-methyl-,(1S,2R,3R)-(9CI)
• Synonyms: 1,3-Pentanediol,1-cyclohexyl-2-methyl-,(1S,2R,3R)-(9CI)
• CAS NO: 804520-00-1
• Molecular Formula: C12H24O2
• Molecular Weight: 200.32
• Product Categories: CYCLOHEXANE
• Mol File: 804520-00-1.mol

Chemical Properties

• Boiling Point: 294.9±8.0 °C(Predicted)
• Appearance: /
• Density: 0.982±0.06 g/cm3(Predicted)
• PKA: 14.85±0.20(Predicted)
• CAS DataBase Reference: 1,3-Pentanediol,1-cyclohexyl-2-methyl-,(1S,2R,3R)-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Pentanediol,1-cyclohexyl-2-methyl-,(1S,2R,3R)-(9CI)(804520-00-1)
• EPA Substance Registry System: 1,3-Pentanediol,1-cyclohexyl-2-methyl-,(1S,2R,3R)-(9CI)(804520-00-1)

Safety Data

• Hazardous Substances Data: 804520-00-1(Hazardous Substances Data)

Usage

Synonyms

1,3-Cyclohexyl-2-methyl-1,3-propanediol

Molecular Weight

172.26 g/mol

Physical State

Colorless liquid

Odor

Mild, pleasant

Solubility

Insoluble in water

Personal care products

Moisturizing and emollient properties in lotions, creams, and cosmetics

Industrial applications

Solvent

Plastics and polymers

Plasticizer

Synthesis

Precursor in the synthesis of other compounds

Safety Precautions

Can be harmful if ingested or inhaled, and can cause irritation to the skin and eyes

Upstream product

• 1072-72-6 Tetrahydrothiopyran-4-one 
• 804519-91-3 (3R,4R)-3-((S)-Cyclohexyl-hydroxy-methyl)-tetrahydro-thiopyran-4-ol 
• 2043-61-0 cyclohexanecarbaldehyde 
• 804519-66-2 (S)-3-((S)-Cyclohexyl-hydroxy-methyl)-tetrahydro-thiopyran-4-one 

Relevant articles and documents

Toward asymmetric aldol-Tishchenko reactions with enolizable aldehydes: Access to defined configured stereotriads, tetrads, and stereopentads

(Chemical Equation Presented) Asymmetric aldol-Tishchenko reactions of enolizable aldehydes and ketones in the presence of chiral BINOLTi(OtBu) 2/cinchona alkaloids complexes are described. Different configurative outcomes of these reactions depend on an equilibration through a retro aldol/aldol sequence and can be influenced by the configurative architecture of substrates. The results are explained by means of transition state models and rate constants. These considerations offer a fine-tuning of diastereoselectivity in aldol-Tishchenko reactions. Extensions of this research give access to defined configured stereotriads, stereotetrads, and stereopentads.

Proline-catalyzed asymmetric aldol reactions of tetrahydro-4H-thiopyran-4- one with aldehydes

Proline-catalyzed enantioselective direct intermolecular aldol reactions of tetrahydro-4H-thiopyran-4-one with various aldehydes give anti adducts with high diastereo- and enantioselectivities in moderate to excellent yields. With the aromatic aldehydes b