Verdyl acetate

Base Information

• Chemical Name: Verdyl acetate
• CAS No.: 5413-60-5
• Molecular Formula: C12H16 O2
• Molecular Weight: 192.258
• Hs Code.: 2915390090
• European Community (EC) Number: 226-501-6
• NSC Number: 6598
• UNII: 5232EN3X2F
• DSSTox Substance ID: DTXSID4029270
• Nikkaji Number: J217.985G
• Wikidata: Q10878625
• RXCUI: 2467276
• Mol file: 5413-60-5.mol

Synonyms:Verdyl acetate;5413-60-5;Jasmacyclen;3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl acetate;Tricyclodecenyl acetate;Tricyclodecen-4-yl 8-acetate;Greenyl acetate;4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate;Dihydro-nordicyclopentadienyl acetate;3a,4,5,6,7,7a-Hexahydro-4,7-methanoinden-6-yl acetate;5232EN3X2F;NSC 6598;NSC-6598;EINECS 226-501-6;BRN 1949487;4,7-Methanoinden-6-ol, 3a,4,5,6,7,7a-hexahydro-, acetate;AI3-20146;4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-acetate;Herbaflorat;JASMACYCLENE;SCHEMBL114981;UNII-5232EN3X2F;DTXSID4029270;NSC6598;MFCD00135806;Dihydro-nor-dicyclopentadienyl acetate;BS-42422;LS-90961;J217.985G;8-acetoxytricyclo[5,2,1,0 2,6]dec-3-ene;8-tricyclo[5.2.1.02,6]dec-3-enyl acetate;E76501;EC 226-501-6;8-ACETOXYTRICYCLO(5.2.1.02,6)DEC-3-ENE;W-105670;Q10878625;tricyclodecenyl acetate, dihydrodicyclopentadiene acetate;3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-ylacetate;ACETIC ACID TRICYCLE(5.2.1.0(SUP 2,6))DECA-3-ENE-8-YL ESTER

Chemical Property of Verdyl acetate

Chemical Property:

• Appearance/Colour: colorless to pale yellow clear liquid
• Vapor Pressure: 0.0137mmHg at 25°C
• Refractive Index: 1.5100 (estimate)
• Boiling Point: 258.4 °C at 760 mmHg
• PKA: 0[at 20 ℃]
• Flash Point: 101.8 °C
• PSA: 26.30000
• Density: 1.12 g/cm³
• LogP: 10.28570
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: 571.429g/L in organic solvents at 20 ℃
• Water Solubility.: 10μg/L at 30℃
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

3a,4,5,6,7,7a-Hexahydro-4,7-methanoinden-6-ylacetate,98-100%(Assay,sumofisomers) 98-100%(Assay,sumofisomers) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC2CC1C3C2C=CC3

Technology Process of Verdyl acetate

There total 8 articles about Verdyl acetate 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: 34.0%

bi(cyclopentadiene) (77-73-6,933-60-8,1755-01-7,25038-78-2) + acetic acid (64-19-7,77671-22-8) → 3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-5(6)-yl acetate (5413-60-5)

Guidance literature:

at 115 - 140 ℃; for 6h; Product distribution / selectivity;

Reference yield:

bi(cyclopentadiene) (77-73-6,933-60-8,1755-01-7,25038-78-2) + acetic acid (64-19-7,77671-22-8) → 3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-5(6)-yl acetate (5413-60-5) + tricyclo[5.2.1.02,6]dec-4-en-8-yl acetate (2500-83-6)

Guidance literature:

With trifluorormethanesulfonic acid; at 90 - 135 ℃; for 3.31667 - 7.9h; Product distribution / selectivity;

Reference yield:

→ 3a,4,5,6,7,7a-hexahydro-4,7-methanoinden-5(6)-yl acetate (5413-60-5)

Guidance literature:

Dicyclopentadien, Essigsaeure;

upstream raw materials:

bi(cyclopentadiene)

acetic acid

endo-Dicyclopentadien

exo-dicyclopentadiene

Refernces

• 1、 -. "Process for making tricyclodecenyl esters". Page/Page column 5; 6; 8. . Retrieved 2008/12/04.
• 2、 Mamedov,Nabieva,Rasulova. "Synthesis of esters from cage-like unsaturated hydrocarbons, carboxylic acid anhydrides, and water". . p. 974 - 977. Retrieved 2007/10/03.