Terpinolene

Base Information

• Chemical Name: Terpinolene
• CAS No.: 586-62-9
• Deprecated CAS: 69073-38-7
• Molecular Formula: C10H16
• Molecular Weight: 136.237
• Hs Code.: 29021990
• European Community (EC) Number: 209-578-0,935-778-9
• UN Number: 2541
• UNII: N9830X5KSL
• DSSTox Substance ID: DTXSID0027222
• Nikkaji Number: J9.438B
• Wikidata: Q2405051
• Metabolomics Workbench ID: 28150
• ChEMBL ID: CHEMBL454697
• Mol file: 586-62-9.mol

Synonyms:4-isopropylidene-1-methylcyclohexene;terpinolene

Chemical Property of Terpinolene

Chemical Property:

• Appearance/Colour: Water-white to pale amber liq. Sweet, pine odor.
• Vapor Pressure: ~0.5 mm Hg ( 20 °C)
• Melting Point: <25 °C
• Refractive Index: n20/D 1.489(lit.)
• Boiling Point: 182 °C at 760 mmHg
• Flash Point: 64.4 °C
• PSA: 0.00000
• Density: 0.853 g/cm³
• LogP: 3.45300
• Storage Temp.: 2-8°C
• Water Solubility.: 6.812mg/L(25 oC)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 136.125200510
• Heavy Atom Count: 10
• Complexity: 178
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Terpinolene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53-65-43
• Safety Statements: 60-61-24/25-22-23-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Biological Agents -> Terpenes
• Canonical SMILES: CC1=CCC(=C(C)C)CC1
• Uses: Solvent for resins, essential oils; manufacture of synthetic resins, synthetic flavors.

Technology Process of Terpinolene

There total 209 articles about Terpinolene 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: 75.0%

2,2,6-trimethyl-1-oxa-spira[2.5]oct-ene (4584-23-0) → Terpinolene (586-62-9,69073-38-7)

Guidance literature:

With lithium; biphenyl; In 1,2-dimethoxyethane; for 5.5h;

Reference yield: 28.0%

limonene. (138-86-3,555-08-8,8022-90-0,9003-73-0,95327-98-3) → Terpinolene (586-62-9,69073-38-7) + 1-methyl-4-isopropyl-1,3-cyclohexadiene (99-86-5) + crithmene (99-85-4)

Guidance literature:

With sodium chloride; In water; at 270 ℃; for 1h; under 60006 Torr; Microwave irradiation;

DOI:10.1039/b924748c

Reference yield: 24.0%

Beta-pinene (177698-19-0,25719-60-2) → Terpinolene (586-62-9,69073-38-7) + 1-methyl-4-isopropyl-1,3-cyclohexadiene (99-86-5) + crithmene (99-85-4) + limonene. (138-86-3,555-08-8,8022-90-0,9003-73-0,95327-98-3)

Guidance literature:

With sodium chloride; In water; at 270 ℃; for 1h; under 60006 Torr; Microwave irradiation;

DOI:10.1039/b924748c

upstream raw materials:

quinoline

1-methyl-4-(1-methylethylidene)cyclohexanol acetate

formic acid

terpineol

Downstream raw materials:

1-methyl-4-isopropyl-1,3-cyclohexadiene

Menthane

4-methylisopropylbenzene

1-Chloro-4-(1-chloro-1-methyl-ethyl)-1-methyl-cyclohexane

Refernces

• 1、 Shabalina et al.. "". . . Retrieved 1965.
• 2、 Bedzyk, Michael J.,Das, Anusheela,Kratish, Yosi,Li, Jiaqi,Ma, Qing,Marks, Tobin J.. "Diverse Mechanistic Pathways in Single-Site Heterogeneous Catalysis: Alcohol Conversions Mediated by a High-Valent Carbon-Supported Molybdenum-Dioxo Catalyst". . p. 1247 - 1257. Retrieved 2022/02/07.
• 3、 Nemat, Suren J.,Tiefenbacher, Konrad. "Thioderivatives of Resorcin[4]arene and Pyrogallol[4]arene: Are Thiols Tolerated in the Self-Assembly Process?". supporting information. p. 6861 - 6865. Retrieved 2021/09/14.