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55406-53-6

55406-53-6 structural image
Product Name: Iodopropynyl butylcarbamate
Formula: C8H12INO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 3-iodo-2-propynyl butylcarbamate is an off-white solid.
Color/Form Off-white, dull color powder
Odor Sharp pungent odor
Melting Point 66 °C
Solubility In water, 156 mg/L at 20 °C
Density 1.575 g/mL
Vapor Pressure 0.0000525 [mmHg]
LogP log Kow = 2.4 /Estimated/
Henry's Law Constant Henry's Law constant = 1.2X10-7 atm-cu m/mol at 30 °C /Estimated/
Other Experimental Properties Hydroxyl radical reaction rate constant = 2.6X10-11 cu cm/molecule-sec at 25 °C /Estimated/
Chemical Classes Other Uses -> Biocides/Disinfectants

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H317:Sensitisation, Skin
H318:Serious eye damage/eye irritation
H331:Acute toxicity,inhalation
H372:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P314:Get medical advice/attention if you feel unwell.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 281.09 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 280.99128 g/mol
Monoisotopic Mass 280.99128 g/mol
Topological Polar Surface Area 38.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 192
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

3-Iodo-2-propynyl N-butylcarbamate is an off-white solid,it is an effective fungicide at very low concentrations in cosmetic and other products, and has shown very low sensitivity in humans tested with this preservative.

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