83803-42-3

Basic information

• Product Name: octyl 2-methylisocrotonate
• Synonyms: octyl 2-methylisocrotonate;(Z)-2-Methyl-2-butenoic acid octyl ester;Einecs 280-859-8
• CAS NO: 83803-42-3
• Molecular Formula: C13H24O2
• Molecular Weight: 212.32846
• EINECS: 280-859-8
• Mol File: 83803-42-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 272.6°C at 760 mmHg
• Flash Point: 117.3°C
• Appearance: /
• Density: 0.884g/cm³
• Vapor Pressure: 0.00603mmHg at 25°C
• Refractive Index: 1.445
• CAS DataBase Reference: octyl 2-methylisocrotonate(CAS DataBase Reference)
• NIST Chemistry Reference: octyl 2-methylisocrotonate(83803-42-3)
• EPA Substance Registry System: octyl 2-methylisocrotonate(83803-42-3)

Safety Data

• Hazardous Substances Data: 83803-42-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H24O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h5H,4,6-11H2,1-3H3/b12-5-

Upstream product

• 111-87-5 octanol 
• 565-63-9 Angelic acid 
• 80-59-1 Tiglic acid 

Relevant articles and documents

New neryl esters from Helichrysum italicum (Roth) G. Don (Asteraceae) essential oil

Helichrysum italicum (immortelle) is a dwarf aromatic shrub native to the Mediterranean region. The typical subspecies (italicum) produces an essential oil rich in neryl acetate and characteristic β-diketones, italidiones, highly valued in the perfume industry. As esters are an important group of aroma-active volatiles, herein the composition of the ester fraction of this immortelle chemotype essential oil was studied in detail. Chromatographic separation of Corsican immortelle essential oil enabled the discovery of numerous potentially olfactory-interesting esters of nerol and/or angelic acid, undetectable by direct GC-MS analyses of the unfractioned oil. Four esters of nerol and medium-chain branched fatty acids represent new natural products, while several other esters have a rather restricted occurrence in the Plant Kingdom.

Bulky diarylammonium arenesulfonates as selective esterification catalysts

More environmentally benign alternatives to current chemical processes, especially large-scale, fundamental reactions such as ester condensations, are highly desirable for many reactions. Bulky diarylammonium pentafluorobenzenesulfonates and tosylates serve as extremely active dehydration catalysts for the ester condensation reaction of carboxylic acids with equimolar amounts of sterically demanding alcohols and acid-sensitive alcohols. Typically, the esterification reaction is performed in heptane by heating at 80 °C in the presence of 1 mol % of the catalyst without removing water. Esterification with primary alcohols proceeds without solvents even at room temperature. Furthermore, 4-(N-mesitylamino)polystyrene resin-bound pentafluorobenzenesulfonate can be recycled more than 10 times without activity loss. Copyright