563-34-8

Basic information

• Product Name: (1S)-(+)-thuj-3-ene
• Synonyms: (1S)-(+)-thuj-3-ene
• CAS NO: 563-34-8
• Molecular Formula: C₁₀H₁₆
• Molecular Weight: 136.23404
• Mol File: 563-34-8.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 151.0±0.0 °C(Predicted)
• Appearance: /
• Density: 0.8346 g/cm3
• CAS DataBase Reference: (1S)-(+)-thuj-3-ene(CAS DataBase Reference)
• NIST Chemistry Reference: (1S)-(+)-thuj-3-ene(563-34-8)
• EPA Substance Registry System: (1S)-(+)-thuj-3-ene(563-34-8)

Safety Data

• Hazardous Substances Data: 563-34-8(Hazardous Substances Data)

Usage

General Description

(1S)-(+)-thuj-3-ene, also known as alpha-thujene, is a natural organic compound classified as a monoterpene. It is found in a variety of essential oils, including those of cedarwood, cypress, and pine. It has a pleasant, aromatic scent with earthy and woody undertones, making it a popular ingredient in perfumes, aromatherapy, and household cleaning products. In addition to its aromatic properties, (1S)-(+)-thuj-3-ene also has potential medicinal benefits, including anti-inflammatory, antioxidant, and antimicrobial effects. It is currently being studied for its potential use in traditional medicine and natural wellness products.

Upstream product

• 54825-97-7 dithiocarbonic acid S-methyl ester-O-thujan-3-yl ester 
• 763-10-0 geranyl diphosphate 
• 471-16-9 sabinol 
• 21653-18-9 (-)-neothujol 
• 1125-12-8 (-)-α-thujone 
• 53833-85-5 trans-sabinyl acetate 
• 33741-33-2 (+)-isothujone p-tosylhydrazone 
• 2009-00-9 sabinene 
• 177324-96-8 Methanesulfonic acid (1S,3S,4R,5R)-1-isopropyl-4-methyl-bicyclo[3.1.0]hex-3-yl ester 
• 18791-12-3 (-)-thujone p-tosylhydrazone 
• 471-15-8 (+)-isothujone 
• 21653-20-3 (-)-3-thujol 

Downstream Products

• 99-87-6 4-methylisopropylbenzene 
• 1197-15-5 p-mentha-1,3-dien-7-al 
• 3310-03-0 (+)-Umbellulol 
• 3310-01-8 (-)-trans-4-Hydroxy-β-thujen 
• 7766-03-2 trans-2-hydroxy-3-thujene 
• 88106-18-7 C₁₆H₂₁NO₃S₂ 
• 174512-63-1 α-thujene epoxide 
• 99-83-2 p-mentha-1,5-diene 
• 562-74-3 TERPINEN-4-OL 
• 471-12-5 thujane 
• 489-20-3 1,2-dimethyl-3-(1-methylethyl)cyclopentane 
• 99-86-5 1-methyl-4-isopropyl-1,3-cyclohexadiene 
• 99-85-4 crithmene 
• 546-78-1 umbellulone 

Relevant articles and documents

Isotope sensitive branching and kinetic isotope effects to analyse multiproduct terpenoid synthases from Zea mays

Multiproduct terpene synthases TPS4-B73 and TPS5-Delprim from Zea mays exhibit isotopically sensitive branching in the formation of mono- and sesquiterpene volatiles. The impact of the kinetic isotope effects and the stabilization of the reactive intermediates by hyperconjugation along with the shift of products from alkenes to alcohols are discussed.

CIDNP study and ab-initio calculations of rigid vinylcyclopropane systems: Evidence for delocalized 'ring-closed' radical cations

The radical cations of three terpenes, sabinene, 1, and α-, 2, and β-thujene, 3, containing vinylcyclopropane functions held rigidly in either an anti- or syn-orientation, have been elucidated by CIDNP studies. The structures assigned to these species are discussed in view of their reactivities and compared with three simplified radical cations, 2-methylenebicyclo[3.1.0]hexane, 4, bicyclo[3.1.0]hex-2-ene, 5, and 5-methylbicyclo[3.1.0]hex-2-ene, 6, calculated by ab initio molecular orbital methods.

ENANTIOMERIC COMPOSITION OF MONOTERPENE HYDROCARBONS FROM THE LIVERWORT CONOCEPHALUM CONICUM

Volatiles from the essential oil of the liverwort Conocephalum conicum were analysed.The chirality of the monoterpene hydrocarbons was studied by two-dimensional gas chromatography.All compounds except β-phellandrene showed high optical purity.For the identification of enantiomers, (+)-β-phellandrene and (-)-α-thujene were prepared from (+)-limonene and (+)-sabinene, respectively.Key Word Index: Conocephalum conicum; Hepaticae; liverwort; monoterpene hydrocarbons; (+)-β-phellandrene; (-)-α-thujene; chiral composition