35124-14-2

Basic information

• Product Name: (3E)-4-[(1R,5R)-5,6,6-Trimethyl-2-methylenecyclohexane-1-yl]-3-butene-2-one
• Synonyms: (3E)-4-[(1R,5R)-5,6,6-Trimethyl-2-methylenecyclohexane-1-yl]-3-butene-2-one;(E)-4-[(1R)-2,2,3α-Trimethyl-6-methylenecyclohexan-1β-yl]-3-buten-2-one;trans-(+)-γ-Irone;(3E)-4-[(1R,5R)-2,5,6,6-Tetramethyl-2-cyclohexen-1-yl]-3-buten-2-one;(+)-trans-alpha-Irone
• CAS NO: 35124-14-2
• Molecular Formula: C₁₄H₂₂O
• Molecular Weight: 206.3239
• Mol File: 35124-14-2.mol

Chemical Properties

• Boiling Point: 278.7°Cat760mmHg
• Flash Point: 118.4°C
• Appearance: /
• Density: 0.914g/cm³
• Vapor Pressure: 0.00419mmHg at 25°C
• Refractive Index: 1.5
• CAS DataBase Reference: (3E)-4-[(1R,5R)-5,6,6-Trimethyl-2-methylenecyclohexane-1-yl]-3-butene-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: (3E)-4-[(1R,5R)-5,6,6-Trimethyl-2-methylenecyclohexane-1-yl]-3-butene-2-one(35124-14-2)
• EPA Substance Registry System: (3E)-4-[(1R,5R)-5,6,6-Trimethyl-2-methylenecyclohexane-1-yl]-3-butene-2-one(35124-14-2)

Safety Data

• Hazardous Substances Data: 35124-14-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+/t11-,13-/m0/s1

Upstream product

• 645-68-1 pseudoirone 
• 72074-86-3 (+-)-4t-(2,5t,6,6-Tetramethyl-cyclohex-2-en-r-yl)-but-3-en-2-on 
• 687-68-3 5,6-dimethyl-5-hepten-2-one 
• 52567-96-1 3,6,7-trimethyl-oct-6-en-1-yn-3-ol 
• 82850-90-6 3-<1R-(2,2,3R-trimethyl-6-methylenecyclohexyl)>acrylonitrile 
• 35124-16-4 (+)-(1'S,3'R,3E)-4-(2',3',3'-trimethyl-6'-methylidenecyclohex-1'-yl)but-3-en-2-one 
• 35124-13-1 (+)-(2R:6S)-cis-α-irone 
• 58307-67-8 3,6,7-trimethyl-6-octen-1-en-3-ol 
• 3899-32-9 (E)-3,6,7-trimethylocta-2,6-dien-1-ol 

Relevant articles and documents

Enzyme-mediated preparation of (+)- and (-)-cis-α-irone and (+)- and (- )-trans-α-irone

The preparation of (-)- and (+)-trans-α-irone (1a and 1b, resp.) and of (+)- and (-)-cis-α-irone (1c and 1d, resp.) from commercially available Irone alpha is reported. The relevant step in the synthetic sequence is the initial chromatographic separation

Synthesis of The Natural Enantiomers of Irones from (+)-Citronellal

Some irone isomers with the natural chirality have been synthesised from (+)-citronellal (7). (+)-Methyl citronellate (21) obtained from compound (7) was methylated stepwise to give methyl 2,2,3,7-tetramethyloct-6-enoate (23).After hydrolysis of the ester