Moskene

Base Information

• Chemical Name: Moskene
• CAS No.: 116-66-5
• Molecular Formula: C14H18 N2 O4
• Molecular Weight: 278.308
• Hs Code.: 05100030
• European Community (EC) Number: 204-149-4
• NSC Number: 60035
• UNII: 1Q49IC9FAW
• DSSTox Substance ID: DTXSID6044519
• Nikkaji Number: J10.095A
• Wikidata: Q27252741
• ChEMBL ID: CHEMBL3188408
• Mol file: 116-66-5.mol

Synonyms:1,1,3,3,5-pentamethyl-4,6-dinitroindan;moskene;musk moskene

Chemical Property of Moskene

Chemical Property:

• Vapor Pressure: 8.49E-05mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 351.1°Cat760mmHg
• Flash Point: 145.3°C
• PSA: 91.64000
• Density: 1.182g/cm³
• LogP: 4.81670
• Storage Temp.: 2-8°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 278.12665706
• Heavy Atom Count: 20
• Complexity: 435

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,1,3,3,5-Pentamethyl-4,6-dinitroindane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36
• Safety Statements: 16-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C2C(=C1[N+](=O)[O-])C(CC2(C)C)(C)C)[N+](=O)[O-]
• Uses: Musk moskene is used as fragrance and fixative in after-shave lotions, perfumes, etc.

Technology Process of Moskene

There total 5 articles about Moskene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,1,3,3,5-pentamethylindane (81-03-8) → musk moskene (116-66-5) + 1,1,3,3-tetramethyl-4,6-dinitro-indan-5-carboxylic acid

Guidance literature:

With sulfuric acid; sulfur trioxide; nitric acid; at 120 ℃;

DOI:10.1021/jo01366a015

Reference yield:

1,1,3,3,5-pentamethylindane (81-03-8) → musk moskene (116-66-5)

Guidance literature:

With nitric acid;

DOI:10.1002/hlca.19320150159 DOI:10.1002/hlca.19550380522

Reference yield:

4-methylisopropylbenzene (99-87-6) → musk moskene (116-66-5)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated H₂SO₄ / 0 °C

2: HNO₃ / <0

With sulfuric acid; nitric acid;

DOI:10.1002/hlca.19320150159 DOI:10.1002/hlca.19550380522

upstream raw materials:

1,1,3,3,5-pentamethylindane

nitric acid

4-methylisopropylbenzene

Downstream raw materials:

1,1,3,3,5-pentamethyl-4-nitro-6-aminoindane