Rhodinyl acetate

Base Information

• Chemical Name: Rhodinyl acetate
• CAS No.: 141-11-7
• Deprecated CAS: 130980-16-4,20777-37-1,62494-04-6
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.305
• Hs Code.: 2915390090
• European Community (EC) Number: 205-458-7
• DSSTox Substance ID: DTXSID00861810
• Nikkaji Number: J184.433D
• Metabolomics Workbench ID: 47675
• Mol file: 141-11-7.mol

Synonyms:Rhodinyl acetate;141-11-7;Rhodinol acetate;3,7-dimethyloct-7-enyl acetate;3,7-dimethyloct-7-en-1-yl acetate;alpha-Citronellyl acetate;Rhodinyl ethanoate;7-OCTEN-1-OL, 3,7-DIMETHYL-, ACETATE;3,7-Dimethyl-7-octen-1-yl acetate;3,7-Dimethyl-7-octen-1-yl ethanoate;7-Octen-1-ol, 3,7-dimethyl-, 1-acetate;EINECS 205-458-7;BRN 1906633;.alpha.-Citronellyl acetate;SCHEMBL891472;FEMA 2981;DTXSID00861810;LMFA07011010;AKOS015911034;LS-3083;7-Octen-1-ol,3,7-dimethyl-,1-acetate;3,7- dimethyl-6 or 7-octen-1-yl acetate;FT-0631819

Chemical Property of Rhodinyl acetate

Chemical Property:

• Refractive Index: n20/D 1.4540(lit.)
• Boiling Point: 256.4°Cat760mmHg
• Flash Point: 86.8°C
• PSA: 26.30000
• Density: 0.879g/cm³
• LogP: 3.32210
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 185

Purity/Quality:

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

RHODINYL ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(=C)C)CCOC(=O)C
• Uses: Perfumery, flavoring agent.

Technology Process of Rhodinyl acetate

There total 8 articles about Rhodinyl 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: 85.0%

8-acetoxy-6-methyloctan-2-one (63539-99-1) + methyl-triphenylphosphonium iodide (2065-66-9) → 3,7-dimethyl-7-octen-1-ol acetate (141-11-7)

Guidance literature:

methyl-triphenylphosphonium iodide; With n-butyllithium; In tetrahydrofuran; hexane; at 20 ℃; for 1h;

8-acetoxy-6-methyloctan-2-one; In tetrahydrofuran; hexane; at 0 - 20 ℃;

DOI:10.1023/A:1014439914429

Reference yield: 81.0%

(6-acetoxy-1-isopropenyl-4-methylhexyl)dimethylsulfonium perchlorate → 3,7-dimethyl-7-octen-1-ol acetate (141-11-7)

Guidance literature:

In water; N,N-dimethyl-formamide; for 5h; electrolysis, cell with glass diaphragm, base mercury as cathode, platinum mesh as anode, saturated calomel electrode as reference, controlled potential, E=-1.5 V, 0.3 M LiClO₄;

DOI:10.1007/BF00961510

Reference yield: 15.0%

(6-acetoxy-1-isopropenyl-4-methylhexyl)dimethylsulfonium perchlorate → citronellyl-acetate (150-84-5,67650-82-2) + 3,7-dimethyl-7-octen-1-ol acetate (141-11-7) + 3,7-Dimethyl-6-methylthiooct-7-en-1-ol acetate (161013-76-9)

Guidance literature:

With lithium perchlorate; In N,N-dimethyl-formamide; Yields of byproduct given; E = -1.7 V;

DOI:10.1007/BF00698242

upstream raw materials:

8-acetoxy-6-methyloctan-2-one

methyl-triphenylphosphonium iodide

1-acetoxy-5-bromo-3-methylpentane

ethyl 2-acetyl-7-acetoxy-5-methylheptanoate

Downstream raw materials:

7-methoxy-3,7-dimethyloctan-1-ol

tetrahydrogeraniol

3,7-dimethyl-1-octanal

7-methoxy-3,7-dimethyloctanal

Refernces

• 1、 Ishmuratov,Yakovleva,Galyautdinova,Faifer,Kharisov,Zorin,Tolstikov. "Universal approach to the synthesis of juvenoid hydroprene and methoprene from 4-methyltetrahydropyran". . p. 486 - 489. Retrieved 2007/10/03.
• 2、 Veselovskii, V. V.,Novikova, M. A.,Korotaeva, L. M.,Dragan, V. A.,Gul'tyai, V. P.,Moiseenkov, A. M.. "SYNTHESIS OF LINEAR α-MONOTERPENYL ACETATES FROM DIMETHYLSULFONIUM PRECURSORS". . p. 1722 - 1724. Retrieved 2007/10/02.