Sabinene

Base Information

• Chemical Name: Sabinene
• CAS No.: 2009-00-9
• Molecular Formula: C10H16
• Molecular Weight: 136.237
• Hs Code.: 2902199090
• European Community (EC) Number: 222-212-4
• UNII: 7D1TL44GPC,XYL0G8758O
• DSSTox Substance ID: DTXSID70863164
• Nikkaji Number: J358.764I
• Wikipedia: Sabinene
• Wikidata: Q27121788
• Metabolomics Workbench ID: 28184
• Mol file: 2009-00-9.mol

Synonyms:sabinene;sabinene, (1R)-isomer

Chemical Property of Sabinene

Chemical Property:

• Refractive Index: n20/D 1.468
• Boiling Point: 163-164 °C(lit.)
• Flash Point: 36 °C
• PSA: 0.00000
• Density: 0.844 g/mL at 20 °C(lit.)
• LogP: 2.99870
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 136.125200510
• Heavy Atom Count: 10
• Complexity: 179

Purity/Quality:

99%, ^*data from raw suppliers

(+)-SABINENE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-10
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C12CCC(=C)C1C2
• Isomeric SMILES: CC(C)[C@]12CCC(=C)[C@H]1C2
• Uses: A component of juniper berry oil A component of juniper berry oil having antibacterial and antifungal activity.

Technology Process of Sabinene

There total 8 articles about Sabinene 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:

geranyl diphosphate (763-10-0) → 3,7-dimethylocta-1,6-dien-3-ol (78-70-6) + 7-methyl-3-methene-1,6-octadiene (123-35-3) + Geraniol (106-24-1) + Terpinolene (586-62-9,69073-38-7) + terpineol (98-55-5,2438-12-2) + sabinene (2009-00-9,10408-16-9,15826-80-9,3387-41-5) + α-thujene (563-34-8,2867-05-2,3917-48-4,75715-79-6) + (-)-(S)-limonene (5989-54-8,555-08-8,8022-90-0,9003-73-0,95327-98-3)

Guidance literature:

With sodium tungstate; recombinant terpene synthases TPS₄-B₇₃ from Zea mays; sodium fluoride; magnesium chloride; In pentane; at 30 ℃; for 0.333333h; pH=7; Reagent/catalyst; Inert atmosphere; Enzymatic reaction;

DOI:10.1039/c4cc10395e

Reference yield:

geranyl diphosphate (763-10-0) → Beta-pinene (177698-19-0,25719-60-2) + Pinene (80-56-8,177698-18-9,25766-18-1) + sabinene (2009-00-9,10408-16-9,15826-80-9,3387-41-5) + beta-phellandrene (555-10-2) + (-)-(S)-limonene (5989-54-8,555-08-8,8022-90-0,9003-73-0,95327-98-3)

Guidance literature:

With Mentha spicata S-limonene synthase, (N₃₄₅A/L₄₂₃A/S₄₅₄G) mutant; magnesium chloride; D,L-dithiothreitol; In hexane; glycerol; at 37 ℃; for 0.666667h; pH=7; chemoselective reaction; Mechanism; Enzymatic reaction;

DOI:10.1016/j.phytochem.2017.02.017

Reference yield:

geranyl diphosphate (763-10-0) → sabinene (2009-00-9,10408-16-9,15826-80-9,3387-41-5) + (-)-(S)-limonene (5989-54-8,555-08-8,8022-90-0,9003-73-0,95327-98-3)

Guidance literature:

With Mentha spicata S-limonene synthase, mutant (C₃₂₁Y/N₃₄₅A/L₄₂₃A/S₄₅₄A); magnesium chloride; D,L-dithiothreitol; In hexane; glycerol; at 37 ℃; for 0.666667h; pH=7; chemoselective reaction; Mechanism; Enzymatic reaction;

DOI:10.1016/j.phytochem.2017.02.017

upstream raw materials:

geranyl diphosphate

1-chloro-3,7-dimethylocta-2,6-diene

sabinene

Downstream raw materials:

(1R)-2t-Methyl-5c-isopropyl-(1rH)-bicyclo<3.1.0>hexan, (+)-Thujan A, (+)-trans-Thujan

(1R)-2c-Methyl-5c-isopropyl-(1rH)-bicyclo<3.1.0>hexan, (-)-Thujan B, (-)-cis-Thujan

(1S,2S,4S)-4-isopropyl-1-methylcyclohexane-1,2,4-triol

1,2,4-Trihydroxy-p-menthan

Refernces

• 1、 Calva, James,Bec, Nicole,Gilardoni, Gianluca,Larroque, Christian,Cartuche, Luis,Bicchi, Carlo,Montesinos, José Vinicio. "Acorenone B: AChE and BChE inhibitor as a major compound of the essential oil distilled from the ecuadorian species niphogeton dissecta (Benth.) J.F. macbr". . . Retrieved 2017/11/16.
• 2、 Galata, Mariana,Sarker, Lukman S.,Mahmoud, Soheil S.. "Transcriptome profiling, and cloning and characterization of the main monoterpene synthases of Coriandrum sativum L.". . p. 64 - 73. Retrieved 2014/05/06.