Citronellol epoxide

Base Information

• Chemical Name: Citronellol epoxide
• CAS No.: 1564-98-3
• Molecular Formula: C10H20 O2
• Molecular Weight: 172.268
• Hs Code.: 2910900090
• NSC Number: 140635
• DSSTox Substance ID: DTXSID00883693
• Nikkaji Number: J387.669A
• Wikidata: Q82862560
• Mol file: 1564-98-3.mol

Synonyms:Citronellol epoxide;1564-98-3;5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol;3,7-Dimethyl-6,7-epoxyoctan-1-ol;3,7-Dimethyl-6,7-epoxy-1-octanol;5-(3,3-Dimethyloxiranyl)-3-methyl-1-pentanol;NSC 140635;Oxiranepentanol, gamma,3,3-trimethyl-;1-Octanol, 6,7-epoxy-3,7-dimethyl-;2-Oxiranepentanol, gamma,3,3-trimethyl-;Oxiranepentanol, .gamma.,3,3-trimethyl-;AI3-36744;3,7-epoxyoctan-1-ol;Citronellol epoxide (R or S);SCHEMBL7977453;Oxiranepentanol,3,3-trimethyl-;C(CC(C)CCO)C1OC1(C)C;DTXSID00883693;1-Octanol,7-epoxy-3,7-dimethyl-;NSC140635;NSC-140635;2-Oxiranepentanol, .gamma.,3,3-trimethyl-;5-(3,3-Dimethyl-2-oxiranyl)-3-methyl-1-pentanol #

Chemical Property of Citronellol epoxide

Chemical Property:

• Vapor Pressure: 0.00758mmHg at 25°C
• Boiling Point: 238.3°C at 760 mmHg
• Flash Point: 84.6°C
• PSA: 32.76000
• Density: 0.935g/cm³
• LogP: 1.96250
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC1C(O1)(C)C)CCO

Technology Process of Citronellol epoxide

There total 18 articles about Citronellol epoxide 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: 98.0%

Citronellol (106-22-9) → 6,7-epoxycitronellol (1564-98-3)

Guidance literature:

With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane;

DOI:10.1002/1522-2675(20000705)83:7<1645::AID-HLCA1645>3.0.CO;2-S

Reference yield: 96.0%

(R)-1-citronellyl acetate (20425-54-1,67650-82-2) → (3R)-5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol (1564-98-3,31560-68-6)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform;

DOI:10.1016/S0040-4020(01)96622-0

Reference yield: 85.0%

2,6-dimethyl-2,3,8-octanetriol (31558-25-5) → 6,7-epoxycitronellol (1564-98-3)

Guidance literature:

With diethoxyltriphenylphosphorane; In dichloromethane; Heating;

DOI:10.1021/ja00304a030

upstream raw materials:

Citronellol

2,6-dimethyl-2,3-epoxy-8-(benzyloxy)octane

2,6-dimethyl-2,3,8-octanetriol

diethoxyltriphenylphosphorane

Downstream raw materials:

2,6-dimethyl-3,8-bis(trimethylsiloxy)octene

3,7-dimethyl-6-hydroxy-oct-7-en-1-ol

1-hydroxy-3,7-dimethyloctan-6-one

(+/-)-6,7-epoxy-3,7-dimethyloctyl-tert-butyldimethylsilylether

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