Home Other Building Blocks Prop-1-en-2-yl acetate

Prop-1-en-2-yl acetate

CAS No.:
108-22-5
Catalog Number:
AG003522
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
99%
In Stock USA
United States
$94
- +
Product Description
Catalog Number:
AG003522
Chemical Name:
Prop-1-en-2-yl acetate
CAS Number:
108-22-5
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
MDL Number:
MFCD08669885
IUPAC Name:
prop-1-en-2-yl acetate
InChI:
InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3
InChI Key:
HETCEOQFVDFGSY-UHFFFAOYSA-N
SMILES:
CC(=C)OC(=O)C
EC Number:
203-562-7
UNII:
4AR9LAS337
FEMA Number:
4152
RTECS Number:
UD4200000
UN Number:
2403
Properties
Complexity:
94.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.052g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Theoretical determination of the infrared spectra of amorphous polymers. The journal of physical chemistry. A 20120712
5-(2-Chloro-benz-yl)-4,5,6,7-tetra-hydro-thieno[3,2-c]pyridin-2-yl acetate. Acta crystallographica. Section E, Structure reports online 20120401
Acylation of Chiral Alcohols: A Simple Procedure for Chiral GC Analysis. Journal of analytical methods in chemistry 20120101
Direct synthesis of anti-1,3-diols through nonclassical reaction of aryl Grignard reagents with isopropenyl acetate. Organic letters 20110121
Mechanism of acetaldehyde-induced deactivation of microbial lipases. BMC biochemistry 20110101
Large nonstatistical branching ratio in the dissociation of pentane-2,4-dione radical cation: an ab initio direct classical trajectory study. The journal of physical chemistry. A 20090226
Inhibitory effect of some acetyl esters and acetamides on glycation of the histone H1. Zeitschrift fur Naturforschung. C, Journal of biosciences 20080101
Enol esters: versatile substrates for Mannich-type multicomponent reactions. Organic letters 20071011
Air-stable racemization catalysts for the dynamic kinetic resolution of secondary alcohols. The Journal of organic chemistry 20070831
Dynamic kinetic resolution of secondary alcohols combining enzyme-catalyzed transesterification and zeolite-catalyzed racemization. Chemistry (Weinheim an der Bergstrasse, Germany) 20070101
The allosteric modulation of lipases and its possible biological relevance. Theoretical biology & medical modelling 20070101
Large-scale ruthenium- and enzyme-catalyzed dynamic kinetic resolution of (rac)-1-phenylethanol. Beilstein journal of organic chemistry 20070101
One-Pot synthesis of gamma,delta-unsaturated carbonyl compounds from allyl alcohols and vinyl or isopropenyl acetates catalyzed by [IrCl(cod)]2. The Journal of organic chemistry 20060804
Application and comparison of immobilized and coated amylose tris-(3,5-dimethylphenylcarbamate) chiral stationary phases for the enantioselective separation of beta-blockers enantiomers by liquid chromatography. Talanta 20060115
Stereochemistry of a diastereoisomeric amphiphile and the species of the lipase influence enzyme activity in the transesterification catalyzed by a lipase-co-lyophilizate with the amphiphile in organic media. Biotechnology letters 20031101
Efficient lipase-catalyzed enantioselective desymmetrization of prochiral 2,2-disubstituted 1,3-propanediols and meso 1,2-diols using 1-ethoxyvinyl 2-furoate. The Journal of organic chemistry 20020125
Lipase-catalyzed irreversible transesterification of 1-(2-furyl)ethanol using isopropenyl acetate. Chirality 20010201
Acetyl phosphate synthesis by reaction of isopropenyl acetate and phosphoric acid. The Journal of biological chemistry 19500801
Properties