(-)-alpha-Thujene

Base Information Edit

Chemical Name:(-)-alpha-Thujene
CAS No.:3917-48-4
Molecular Formula:C₁₀H₁₆
Molecular Weight:136.237
Hs Code.:
UNII:RN746W3HMX
DSSTox Substance ID:DTXSID001317501
Nikkaji Number:J918.432E
Wikidata:Q27121815
Metabolomics Workbench ID:28186
Mol file:3917-48-4.mol

Synonyms:(-)-alpha-Thujene;RN746W3HMX;alpha-Thujene, (-)-;3917-48-4;UNII-RN746W3HMX;(1R,5S)-5-isopropyl-2-methylbicyclo[3.1.0]hex-2-ene;Bicyclo(3.1.0)hex-2-ene, 2-methyl-5-(1-methylethyl)-, (1R)-;(1R,5S)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene (1R,5S)-thuj-2-ene;trans-Thujene;(1R,5S)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene;(-)-.ALPHA.-THUJENE;CHEBI:50033;DTXSID001317501;.ALPHA.-THUJENE, (-)-;LMPR0102120038;3-THUJENE, (1R,5R)-(-)-;Q27121815;(1R,5R)-1alpha-Isopropyl-4-methylbicyclo[3.1.0]hexa-3-ene;(1R,5R)-2-METHYL-5-(1-METHYLETHYL)BICYCLO(3.1.0)HEX-2-ENE;BICYCLO(3.1.0)HEX-2-ENE, 2-METHYL-5-(1-METHYLETHYL)-, (1R,5R)-

Suppliers and Price of (-)-alpha-Thujene

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 7 raw suppliers

Chemical Property of (-)-alpha-Thujene Edit

Chemical Property:

Vapor Pressure:4.77mmHg at 25°C
Boiling Point:151°Cat760mmHg
Flash Point:33.6°C
PSA：0.00000
Density:0.935g/cm³
LogP:2.99870
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:136.125200510
Heavy Atom Count:10
Complexity:188

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CCC2(C1C2)C(C)C
Isomeric SMILES:CC1=CC[C@]2([C@@H]1C2)C(C)C

Technology Process of (-)-alpha-Thujene

There total 17 articles about (-)-alpha-Thujene 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: 80.0%

: 177324-96-8
Methanesulfonic acid (1S,3S,4R,5R)-1-isopropyl-4-methyl-bicyclo[3.1.0]hex-3-yl ester

: 563-34-8,2867-05-2,3917-48-4,75715-79-6
α-thujene

: 15464-04-7,18767-58-3,18767-59-4,21747-99-9,28634-89-1
(+)-(1S,4SR,5R)-1-isopropyl-4-methylbicyclo[3.1.0]hex-2-ene

Guidance literature:: With potassium hydroxide; 18-crown-6 ether; In toluene; at 100 ℃; for 4h; Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1016/0968-0896(96)00020-X

Reference yield: 20.0%

: 2009-00-9
sabinene

: 563-34-8,2867-05-2,3917-48-4,75715-79-6
α-thujene

Guidance literature:: With chloranil; Irradiation;
DOI:10.1016/S0040-4020(97)00347-5

Reference yield:

: 763-10-0
geranyl diphosphate

: 78-70-6
3,7-dimethylocta-1,6-dien-3-ol

: 123-35-3
7-methyl-3-methene-1,6-octadiene

: 106-24-1
Geraniol

: 586-62-9,69073-38-7
Terpinolene

: 98-55-5,2438-12-2
terpineol

: 2009-00-9,10408-16-9,15826-80-9,3387-41-5
sabinene

: 563-34-8,2867-05-2,3917-48-4,75715-79-6
α-thujene

: 5989-54-8,555-08-8,8022-90-0,9003-73-0,95327-98-3
(-)-(S)-limonene

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