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1191-16-8

1191-16-8 structural image
Product Name: Prenyl acetate
Formula: C7H12O2
Synonyms: 3,3-dimethyl allyl acetate;3-methyl-2-buten-1-ol acetate;3-methyl-2-buten-1-yl acetate;3-methyl-2-butenyl acetate;Isopent-2-enyl acetate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dry Powder, Liquid, Other Solid; Liquid
Boiling Point 151.00 to 152.00 °C. @ 752.00 mm Hg
Solubility Practically insoluble to insoluble in water
Density 0.911-0.922
LogP 1.650
Refractive Index 1.424-1.428
Kovats Retention Index 902 905 900 902 909 900 895 902 902 901 902 904

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H226:Flammable liquids
H303:Acute toxicity,oral
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 128.17 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 128.083729621 g/mol
Monoisotopic Mass 128.083729621 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 121
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Isopentenyl acetate is a carboxylic ester.