66016-27-1

Basic information

• Product Name: 3-tert-Butylcyclobutanecarboxylic acid
• Synonyms: 3-tert-Butylcyclobutanecarboxylic acid
• CAS NO: 66016-27-1
• Molecular Formula: C9H16O2
• Molecular Weight: 156.2221
• Mol File: 66016-27-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 242.9°Cat760mmHg
• Flash Point: 116°C
• Appearance: /
• Density: 1.045g/cm³
• Vapor Pressure: 0.0109mmHg at 25°C
• Refractive Index: 1.483
• CAS DataBase Reference: 3-tert-Butylcyclobutanecarboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-tert-Butylcyclobutanecarboxylic acid(66016-27-1)
• EPA Substance Registry System: 3-tert-Butylcyclobutanecarboxylic acid(66016-27-1)

Safety Data

• Hazardous Substances Data: 66016-27-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H16O2/c1-9(2,3)7-4-6(5-7)8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11)

Upstream product

• 24330-56-1 2-tert-butyl-1,3-propanediol di-p-tosylate 
• 14924-49-3 2-tert-butyl-1,3-dibromopropane 
• 2819-05-8 2-tert-butylpropane-1,3-diol 
• 759-24-0 tert-butylmalonic acid diethyl ester 

Downstream Products

• 24165-52-4 3-tert-Butyl-cyclobutanecarbonyl chloride 

Relevant articles and documents

ANALYSE STRUCTURALE EN SERIE CYCLOBUTANIQUE. Partie 1. Derives monosubstitues et gem disubstitues du cyclobutane

Methylene bending mode analysis of some cyclobutane-d2 molecules reveals that in the dissolved state (solvent CCl4), bromocyclobutane occurs exclusively in a pseudo-equatorial form, whereas, under the same conditions, cyclobutanol and 1-bromocyclobutane carbonitrile exist both in pseudo-axial and pseudo-equatorial conformations.NMR spectroscopy confirms the results obtained for bromocyclobutane and leads to the conclusion that the pseudo-equatorial conformer is predominant in the case of cyclobutanol as well as in that of cyclobutane carbonitrile.A theoretical study of cyclobutanol in the gaseous state by the P.C.I.L.O. method gives results which are consistent with a pseudo-equatorial conformer.