3917-48-4

Basic information

• Product Name: (1R)-(-)-thuj-3-ene
• Synonyms: (1R)-(-)-thuj-3-ene
• CAS NO: 3917-48-4
• Molecular Formula: C₁₀H₁₆
• Molecular Weight: 136.23404
• Mol File: 3917-48-4.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 151°Cat760mmHg
• Flash Point: 33.6°C
• Appearance: /
• Density: 0.935g/cm³
• Vapor Pressure: 4.77mmHg at 25°C
• Refractive Index: 1.513
• CAS DataBase Reference: (1R)-(-)-thuj-3-ene(CAS DataBase Reference)
• NIST Chemistry Reference: (1R)-(-)-thuj-3-ene(3917-48-4)
• EPA Substance Registry System: (1R)-(-)-thuj-3-ene(3917-48-4)

Safety Data

• Hazardous Substances Data: 3917-48-4(Hazardous Substances Data)

Usage

General Description

(1R)-(-)-thuj-3-ene, also known as alpha-thujene, is a natural organic compound found in a variety of plants such as cypress, cedarwood, and juniper. It is classified as a monoterpene hydrocarbon and is known for its pleasant, woody aroma. (1R)-(-)-thuj-3-ene is commonly used in the fragrance and flavor industry as a component of essential oils due to its aromatic properties. It also has potential therapeutic benefits, such as anti-inflammatory and antimicrobial properties, making it a valuable ingredient in traditional medicine and natural health products. Additionally, this compound has been studied for its potential role in cancer therapy, with preliminary research suggesting it may have anti-cancer properties.

InChI:InChI=1/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m1/s1

Upstream product

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

Downstream Products

• 99-87-6 4-methylisopropylbenzene 
• 1197-15-5 p-mentha-1,3-dien-7-al 
• 489-20-3 1,2-dimethyl-3-(1-methylethyl)cyclopentane 
• 471-12-5 thujane 
• 562-74-3 TERPINEN-4-OL 
• 99-83-2 p-mentha-1,5-diene 
• 7766-03-2 trans-2-hydroxy-3-thujene 
• 174512-63-1 α-thujene epoxide 

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