1,5-Dimethylhex-5-enyl acetate

Base Information

• Chemical Name: 1,5-Dimethylhex-5-enyl acetate
• CAS No.: 38228-51-2
• Deprecated CAS: 121402-93-5
• Molecular Formula: C10H18O2
• Molecular Weight: 170.252
• Hs Code.: 2915390090
• European Community (EC) Number: 253-840-7
• DSSTox Substance ID: DTXSID90865903
• Nikkaji Number: J294.619J
• Mol file: 38228-51-2.mol

Synonyms:1,5-Dimethylhex-5-enyl acetate;6-methylhept-6-en-2-yl acetate;38228-51-2;6-Hepten-2-ol, 6-methyl-, acetate;6-Hepten-2-ol, 6-methyl-, 2-acetate;EINECS 253-840-7;DTXSID90865903;6-Methyl-6-hepten-2-ol acetate;1,5 - dimethylhex - 5 - enyl acetate

Chemical Property of 1,5-Dimethylhex-5-enyl acetate

Chemical Property:

• Vapor Pressure: 0.134mmHg at 25°C
• Boiling Point: 217.3°Cat760mmHg
• Flash Point: 79.2°C
• PSA: 26.30000
• Density: 0.885g/cm³
• LogP: 2.68440
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(=C)C)OC(=O)C

Technology Process of 1,5-Dimethylhex-5-enyl acetate

There total 5 articles about 1,5-Dimethylhex-5-enyl 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:

C12H25O2S(1+)*BF4(1-) → sulcatol acetate (19162-00-6) + 2-acetoxy-6-methyl-6-heptene (38228-51-2)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; for 24h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

DOI:10.1016/S0040-4039(00)88333-1

Reference yield:

6-hydroxy-6-methylheptan-2-yl acetate (107909-35-3) → sulcatol acetate (19162-00-6) + 2-acetoxy-6-methyl-6-heptene (38228-51-2)

Guidance literature:

With trichlorophosphate; In pyridine; for 15h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

DOI:10.1016/S0040-4020(88)90028-2

Reference yield:

2-Chlor-2-hepten-6-ol-acetat (38228-49-8) → 2-acetoxy-6-methyl-6-heptene (38228-51-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄

2: NaH

With sulfuric acid; sodium hydride;

DOI:10.1007/BF00854488

upstream raw materials:

6-acetoxyheptan-2-one

Methyltriphenylphosphonium bromide

6-hydroxy-6-methylheptan-2-yl acetate

6-methylhept-6-en-2-one

Downstream raw materials:

(E)-6,10-dimethylundeca-5,9-dien-2-yl acetate

(E)-6,10-dimethylundeca-5,9-dien-2-yl acetate

Acetic acid (E)-1,5,9-trimethyl-deca-5,8-dienyl ester

1-acetoxy-6,10-dimethyl-9-undecen-6-ol

Refernces

• 1、 Badet, B.,Julia, M.,Mallet, J. M.,Schmitz, C.. "BASIC ELIMINATION OF SULFONIUM SALTS. NEIGHBOURING GROUP INFLUENCE ON REGIOSELECTIVITY.". . p. 4331 - 4334. Retrieved 2007/10/02.