Linalyl oxide

Base Information

• Chemical Name: Linalyl oxide
• CAS No.: 60047-17-8
• Molecular Formula: C10H18O2
• Molecular Weight: 170.252
• Hs Code.: 2932190090
• European Community (EC) Number: 262-038-6,227-814-0
• NSC Number: 93936
• DSSTox Substance ID: DTXSID60863673
• Nikkaji Number: J68.900I
• Wikidata: Q27160424
• Mol file: 60047-17-8.mol

Synonyms:Linalyl oxide;60047-17-8;Epoxylinalool;2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol;linalooloxide;Linolool oxide;2-(2-Hydroxy-2-propyl)-5-methyl-5-vinyltetrahydrofuran;EINECS 262-038-6;2-Methyl-2-vinyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran;5-(1-Hydroxy-1-methylethyl)-2-methyl-2-vinyltetrahydrofuran;BRN 0117527;2-(Tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol;2,6-Dimethyl-3,6-oxido-7-oxten-2-ol;2-Methyl-2-vinyl-5-(2-hydroxy-2-propyl)tetrahydrofuran;alpha,alpha,5-Trimethyl-5-vinyltetrahydrofurfuryl alcohol;(Z)-Linalool oxide (furanoid);5-Ethenyltetrahydro-alpha,alpha,5-trimethyl-2-furanmethanol;2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-;2-(5-Methyl-5-vinyltetrahydro-1-furyl)-2-propanol;2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propan-2-ol;2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-;Linalool oxide, (Z)-;2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-, cis-;5989-33-3;2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-, (2R,5S)-rel-;5-17-03-00253 (Beilstein Handbook Reference);Linalool oxide B;cis-Linalyl Oxide;Furfuryl alcohol, tetrahydro-.alpha.,.alpha.,5-trimethyl-5-vinyl-;(Z)-Linalool oxide B;cis-Furan linalool oxide;UNII-2U90CGE5DT;Tetrahydro-alpha,alpha,5-trimethyl-5-vinylfuran-2-methanol;Linalool oxide I (cis, furanoid);EINECS 227-814-0;trans-5-Ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-2-furanmethanol;2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-, trans-;2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5R)-rel-;Furan linalool oxide;Linalool oxide, cis;Linalool 3,6-oxide;cis-Linalol furanoxide;cis-Linalool furan oxide;cis-Linalool oxide furan;(Z)-Linalool furanoxide;cis-Furanic linalool oxid;cis-Linalool-3,6-oxide;linalool oxide (furanoid);Z-Furanoid linalool oxide;Z-linalool oxide (furan);(Z)-Furan linalool oxide;2-(5-Methyl-5-vinyltetrahydro-2-furanyl)-2-propanol;Linalool oxide, cis-furanoid;cis-Linalyl oxide (furanoid);2-Furanmethanol, 5-ethenyltetrahydro-?,?,5-trimethyl-, trans-;68780-91-6;cis-5-Ethenyltetrahydro-alpha,alpha,5-trimethyl-2-furanmethanol;cis-linalool oxide (furanoid);Linalool oxide (cis-furanoid);SCHEMBL295274;(Z)-Linalool oxide, furanoid;cis-2-Methyl-2-vinyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran;tetrahydro - a,a,5 - trimethyl - 5 - vinylfuran - 2 - methanol;(Z)-Linalool oxyde (furanoid);2-(5-ETHENYL-5-METHYL-OXOLAN-2-YL)PROPAN-2-OL;CHEBI:88534;cis-Linalool oxide (furan type);FEMA 3746;cis-Linalol oxide (furan isomer);DTXSID60863673;2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5S)-rel-;Furfuryl alcohol, tetrahydro-.alpha.,.alpha.,5-trimethyl-5-vinyl-, (2R,5R)-(-)-;2-Furanmethanol, 5-ethenyltetrahydro-?,?,5-trimethyl-, cis-;cis-Linalool oxide (furanyl ring);Linalool oxide B ((Z)-furanoid);Linalool oxide, natural, >=95%;cis-Linalool oxide (furanoid form);NSC93936;MFCD00053543;NSC 93936;NSC-93936;2-Furanmethanol,.alpha.,5-trimethyl-;AKOS040759301;LS-2881;2,6-Dimethyl-3,6-oxido-7-octen-2-ol;L0143;D91255;EN300-176284;2-(5-Methyl-5-vinyltetrahydro-2-furyl)-2-propanol;Q27160424;2-(5-Methyl-5-vinyltetrahydro-2-furanyl)-2-propanol #;2-Furanmethanol, 5-ethenyltetrahydro-?,?,5-trimethyl-;5-Ethenyltetrahydro-a,a,5-trimethyl-2-furanmethanol, 9CI;2-((2R,5S)-5-Methyl-5-vinyltetrahydrofuran-2-yl)propan-2-ol;Tetrahydro-2-methyl-5-(1-hydroxy-1-methylethyl)-2-vinylfuran;5-Ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-cis-2-furanmethanol;cis-5-Ethenyltetrahydro-.alpha.,.alpha.,5-Trimethyl-2-furanmethanol;Z-2-Ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-furanmethanol;cis - a,a,5 - trimethyl - 5 - vinyltetrahydrofuran - 2 - methanol;Furfuryl alcohol, tetrahydro-.alpha.,.alpha.,5-trimethyl-5-vinyl-, cis-;2 - (tetrahydro - 5 - methyl - 5 - vinyl - 2 - furyl) propan - 2 - ol

Chemical Property of Linalyl oxide

Chemical Property:

• Vapor Pressure: 1.58-2.1hPa at 20-25℃
• Refractive Index: n20/D 1.452
• Boiling Point: 222.6 °C at 760 mmHg
• PKA: 14.57±0.29(Predicted)
• Flash Point: 75.4 °C
• PSA: 32.76000
• Density: 1.023g/cm³
• LogP: 1.88100
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99.9% ^*data from raw suppliers

2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 23-24/25-45-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(CCC(O1)C(C)(C)O)C=C

Technology Process of Linalyl oxide

There total 61 articles about Linalyl oxide 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: 92.0%

1-(5-ethynyl-5-methyl-2-tetrahydrofuranyl)-1-methylethanol (97277-67-3) → 2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran (60047-17-8,37267-80-4)

Guidance literature:

With quinoline; hydrogen; Pd-BaSO₄; In methanol; Ambient temperature;

DOI:10.1021/jo00217a028

Reference yield: 82.0%

3,7-dimethylocta-1,6-dien-3-ol (78-70-6) → 6,7-epoxylinalool (15249-35-1) + 2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran (60047-17-8,37267-80-4)

Guidance literature:

With pyridine; pyridine-3-carbonitrile; dihydrogen peroxide; methyltrioxorhenium(VII); In dichloromethane; water; at -0.15 ℃; for 1.7h; Yields of byproduct given;

DOI:10.1016/S0040-4039(98)01853-X

Reference yield: 75.0%

3,7-dimethylocta-1,6-dien-3-ol (78-70-6) → 2-methyl-5-(2'-propyl-2'-hydroxy)-2-vinyltetrahydrofuran (60047-17-8,37267-80-4)

Guidance literature:

With maleic anhydride; urea-hydrogen peroxide complex; In dichloromethane; at 0 ℃; for 5h;

upstream raw materials:

peracetic acid

linalool

monoperoxyphthalic acid

5,6-epoxy-6-methyl-2-heptanone

Downstream raw materials:

5-methyl-5-vinyl-dihydro-furan-2-one

2,2,5-trimethylcyclohept-4-en-1-one

(4E,6E)-2,6-Dimethyl-octa-4,6-dien-3-one

acetoxy linalool oxide