Cas no 3331-47-3 (3,8-Dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde)

3,8-Dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde is a specialized azulene-based aldehyde with a unique structural framework, characterized by its dimethyl and isopropyl substituents. This compound is of interest in organic synthesis and materials science due to its conjugated azulene core, which imparts distinctive electronic and optical properties. The aldehyde functional group enhances its reactivity, making it a versatile intermediate for further derivatization, such as in the preparation of Schiff bases or heterocyclic compounds. Its stability and well-defined molecular structure also make it suitable for applications in dye chemistry or as a building block for advanced organic materials. The compound’s purity and consistent performance are critical for research and industrial applications.
3,8-Dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde structure
3331-47-3 structure
Product Name:3,8-Dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde
CAS No:3331-47-3
MF:C16H18O
MW:226.313524723053
MDL:MFCD00275723
CID:295393
PubChem ID:639851
Update Time:2025-06-09

3,8-Dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1-Azulenecarboxaldehyde,3,8-dimethyl-5-(1-methylethyl)-
    • 7-Isopropyl-1,4-dimethylazulene-3-carboxaldehyde
    • 3,8-DIMETHYL-5-ISOPROPYLAZULENE-1-CARBOXALDEHYDE
    • 3,8-dimethyl-5-propan-2-ylazulene-1-carbaldehyde
    • 5-Isopropyl-3,8-Dimethylazulene-1-Carbaldehyde
    • 1-formylguaiazulene
    • 3-formylguaiazulene
    • 3-guaiazulenecarbaldehyde
    • guaiazulene-1-carboxaldehyde
    • guaiazulene-3-carbaldehyde
    • Guiazulene-1-carboxaldehyde
    • quiazulene-1-carboxaldehyde
    • 5-Isopropyl-3,8-dimethylazulene-1-carboxaldehyde
    • AKOS001086756
    • Z57040480
    • 3331-47-3
    • AS-69894
    • A821721
    • InChI=1/C16H18O/c1-10(2)13-6-5-11(3)16-14(9-17)7-12(4)15(16)8-13/h5-10H,1-4H
    • T72317
    • 3,8-dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde
    • SCHEMBL1101926
    • MFCD00275723
    • FT-0634783
    • EN300-11216
    • CS-0308240
    • CDVRGGMPPUFSFH-UHFFFAOYSA-N
    • DTXSID00348676
    • 3-Formylguajazulen
    • I0928
    • 1-azulenecarboxaldehyde, 3,8-dimethyl-5-(1-methylethyl)-
    • DB-004157
    • 3,8-Dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde
    • MDL: MFCD00275723
    • Inchi: 1S/C16H18O/c1-10(2)13-6-5-11(3)16-14(9-17)7-12(4)15(16)8-13/h5-10H,1-4H3
    • InChI Key: CDVRGGMPPUFSFH-UHFFFAOYSA-N
    • SMILES: O=CC1=CC(C)=C2C=C(C=CC(C)=C21)C(C)C

Computed Properties

  • Exact Mass: 226.13600
  • Monoisotopic Mass: 226.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 271
  • 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
  • Topological Polar Surface Area: 17.1A^2
  • XLogP3: 4.2

Experimental Properties

  • Density: 1.038
  • Melting Point: 83°C(lit.)
  • Boiling Point: 364.2°Cat760mmHg
  • Flash Point: 180.2°C
  • Refractive Index: 1.601
  • PSA: 17.07000
  • LogP: 4.34410

3,8-Dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde Customs Data

  • HS CODE:2912299000
  • Customs Data:

    China Customs Code:

    2912299000

    Overview:

    2912299000. Other cyclic aldehydes without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Appearance of tetraformaldehyde

    Summary:

    2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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3,8-Dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde Suppliers

Amadis Chemical Company Limited
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(CAS:3331-47-3)3,8-Dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde
Order Number:A821721
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:09
Price ($):631.0
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Amadis Chemical Company Limited
(CAS:3331-47-3)3,8-Dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde
A821721
Purity:99%
Quantity:1g
Price ($):631.0
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