Cas no 169339-42-8 (Benzaldehyde, 3-(1,3-dioxan-2-yl)- (9CI))

Benzaldehyde, 3-(1,3-dioxan-2-yl)- (9CI) is a specialized aromatic aldehyde featuring a dioxane ring substitution at the meta position. This structural motif imparts unique reactivity and stability, making it valuable in synthetic organic chemistry, particularly in the preparation of heterocyclic compounds and fine chemicals. The presence of the dioxane group enhances its utility as a protected aldehyde intermediate, allowing selective transformations under controlled conditions. Its well-defined chemical properties ensure consistent performance in multi-step syntheses. This compound is particularly useful in pharmaceutical and agrochemical research, where precise functionalization of aromatic systems is required. Proper handling under inert conditions is recommended due to its sensitivity to air and moisture.
Benzaldehyde, 3-(1,3-dioxan-2-yl)- (9CI) structure
169339-42-8 structure
Product Name:Benzaldehyde, 3-(1,3-dioxan-2-yl)- (9CI)
CAS No:169339-42-8
MF:C11H12O3
MW:192.211183547974
MDL:MFCD07700184
CID:1022403
PubChem ID:10058393
Update Time:2025-05-28

Benzaldehyde, 3-(1,3-dioxan-2-yl)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 3-(1,3-dioxan-2-yl)- (9CI)
    • 3-(1,3-Dioxan-2-yl)benzaldehyde
    • T6O COTJ BR CVH
    • 169339-42-8
    • Benzaldehyde, 3-(1,3-dioxan-2-yl)-
    • SCHEMBL6196036
    • AKOS006287753
    • MFCD07700184
    • DB-273543
    • DTXSID60434867
    • MDL： MFCD07700184
    • Inchi： 1S/C11H12O3/c12-8-9-3-1-4-10(7-9)11-13-5-2-6-14-11/h1,3-4,7-8,11H,2,5-6H2
    • InChI Key： FZSFOZVMUJVWRM-UHFFFAOYSA-N
    • SMILES： O1CCCOC1C1C=CC=C(C=O)C=1

Computed Properties

  • Exact Mass: 192.07866
  • Monoisotopic Mass: 192.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 187
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Density: 1.169
  • Boiling Point: 322.152°C at 760 mmHg
  • Flash Point: 139.669°C
  • Refractive Index: 1.556
  • PSA: 35.53

Benzaldehyde, 3-(1,3-dioxan-2-yl)- (9CI) Pricemore >>

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Crysdot LLC
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3-(1,3-Dioxan-2-yl)benzaldehyde, 97%; .
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