alpha-THUJENE, (+/-)-

Base Information Edit

Chemical Name:alpha-THUJENE, (+/-)-
CAS No.:563-34-8
Deprecated CAS:1406-51-5,75715-79-6
Molecular Formula:C10H16
Molecular Weight:136.237
Hs Code.:
UNII:O47H0626QK,U9HIP11C7C
Nikkaji Number:J880.030H
Wikidata:Q27121804
Mol file:563-34-8.mol

Synonyms:(+)-alpha-thujene;thujiene;U9HIP11C7C;O47H0626QK;alpha-Thujene, (+)-;UNII-U9HIP11C7C;alpha-Thujene, (+/-)-;Origanene;UNII-O47H0626QK;EINECS 220-686-7;(1S,5R)-5-isopropyl-2-methylbicyclo[3.1.0]hex-2-ene;(1S)-2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hex-2-ene;Bicyclo(3.1.0)hex-2-ene, 2-methyl-5-(1-methylethyl)-, (1S);563-34-8;alpha-Thuiene;alpha-Thujen;.alpha.-Thujene;(1S,5R)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene;(1S,5R)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene (1S,5R)-thuj-2-ene;CHEBI:50031;5-Isopropyl-2-methylbicyclo(3.1.0)hex-2-ene;(1S)-(+)-thuj-3-ene;(+)-.ALPHA.-THUJENE;CHEBI:50032;.ALPHA.-THUJENE, (+)-;.ALPHA.-THUJENE, (+/-)-;LMPR0102120037;2-METHYL-5-ISOPROPYLBICYCLO(3.1.0)-2-HEXENE;Q27121804

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 1 raw suppliers

Chemical Property of alpha-THUJENE, (+/-)- Edit

Chemical Property:

Boiling Point:151.0±0.0 °C(Predicted)
PSA：0.00000
Density:0.8346 g/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%min ^*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