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Allyl acetate, 99%

Catalog Number
ACM591877
Product Name
Allyl acetate, 99%
Structure
CAS
591-87-7
Category
Monomers
Description
Allyl acetate appears as a liquid. Insoluble in water and slightly less dense than water. Hence floats on water. Poisonous by ingestion and moderately toxic by inhalation and skin contact. Irritating to skin and eyes.
IUPAC Name
prop-2-enyl acetate
Molecular Weight
100.12g/mol
Molecular Formula
C5H8O2
Canonical SMILES
CC(=O)OCC=C
InChI
InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
InChI Key
FWZUNOYOVVKUNF-UHFFFAOYSA-N
Boiling Point
103.5 °C;103.5 °C
Melting Point
Freezing point: -96 °C
Flash Point
72 °F (NFPA, 2010)
Density
0.9275 g/cu cm at 20 °C
Solubility
0.28 M;Soluble in acetone; miscible in ethanol and ethyl ether.;2.8% in water at 20 °C
Color/Form
COLORLESS LIQUID
Complexity
76.1
Covalently-Bonded Unit Count
1
EC Number
209-734-8
Exact Mass
100.052429g/mol
Formal Charge
0
Heavy Atom Count
7
Log P
0.97 (LogP);log Kow = 0.97
MeSH Entry Terms
allyl acetate
Monoisotopic Mass
100.052429g/mol
NSC Number
7612
Odor
ACRID AT HIGH LEVELS
Other Experimental
CONVERSION FACTORS: 1 MG/L IS EQUIVALENT TO 245 PPM;CONVERSION FACTORS (WT/VOL): 4.14 MG/CU M IS EQUIVALENT TO 1 PPM
Refractive Index
INDEX OF REFRACTION: 1.4049 AT 20 °C/D
Rotatable Bond Count
3
RTECS Number
AF1750000
UNII
E4U5E5990I
UN Number
2333;2333;2333
Vapor Density
3.45 (AIR= 1)
Vapor Pressure
27.20 mmHg;27.2 mm Hg at 20 °C /from experimentally-derived coefficients/
Viscosity
0.52 cP at 20 °C
XLogP3
1
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