79-70-9

Basic information

• Product Name: BETA-N-METHYLIONONE
• Synonyms: BETA-N-METHYLIONONE;4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-3-buten-2-on;4-(2,5,6,6-tetramethylcyclohex-1-enyl)but-3-en-2-one;4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one;3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-;beta-irone;4-(2,5,6,6-Tetramehtyl-1-cyclohexenyl)-3-buten-2-one;Einecs 201-220-1
• CAS NO: 79-70-9
• Molecular Formula: C₁₄H₂₂O
• Molecular Weight: 206.32
• EINECS: 201-220-1
• Mol File: 79-70-9.mol
• Article Data: 1

Chemical Properties

• Melting Point: <25 °C
• Boiling Point: bp0.1 85-90°; bp0.7 99-104°; bp11 125°
• Flash Point: 127.1°C
• Appearance: /
• Density: d421 0.9434
• Vapor Pressure: 0.00162mmHg at 25°C
• Refractive Index: nD21 1.5178; nD25 1.5162
• CAS DataBase Reference: BETA-N-METHYLIONONE(CAS DataBase Reference)
• NIST Chemistry Reference: BETA-N-METHYLIONONE(79-70-9)
• EPA Substance Registry System: BETA-N-METHYLIONONE(79-70-9)

Safety Data

• Hazardous Substances Data: 79-70-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11H,6-7H2,1-5H3/b9-8+

Upstream product

• 28049-53-8 6,9,10-trimethyl-undeca-3,5,10-trien-2-one 
• 645-68-1 pseudoirone 
• 72445-16-0 2-(Chloromethyl)-4-(phenylthio)-1-butene 
• 78424-78-9 (2,3-dimethyl-2-butenyl)magnesium chloride 
• 78424-80-3 (6,7-Dimethyl-3-methylene-oct-6-enylsulfanyl)-benzene 
• 78424-73-4 (6,7-Dimethyl-3-methylene-oct-6-ene-1-sulfonyl)-benzene 
• 78424-75-6 (9,10-Dimethyl-6-methylene-undeca-1,9-diene-4-sulfonyl)-benzene 
• 78424-77-8 4-Benzenesulfonyl-9,10-dimethyl-6-methylene-undec-9-en-2-one 
• 67-56-1 methanol 
• 35124-13-1 (+)-(2R:6S)-cis-α-irone 
• 7732-18-5 water 
• 35124-16-4 (+)-(1'S,3'R,3E)-4-(2',3',3'-trimethyl-6'-methylidenecyclohex-1'-yl)but-3-en-2-one 
• 86119-84-8 phosphoric acid 

Downstream Products

• 124115-56-6 1t-((X)-2.2.3.6-tetramethyl-cyclohexen-⁽⁶⁾-yl)-buten-⁽¹⁾-one-⁽³⁾-(4-phenyl semicarbazone) 

Relevant articles and documents

TOTAL SYNTHESIS OF IONONES AND IRONES FROM 2-HYDROXYMETHYL-4-PHENYLTHIO-1-BUTENE

A sequence of allylation, the Wacker reaction, and desulfonylation of homoallyl sulfones provided a new synthetic method for the α,β,γ,δ-unsaturated ketone system often encountered in natural products.This procedure was successfully applied to ionone and irone synthesis.