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Isobutyl Isothiocyanate
[CAS# 591-82-2]

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Identification
Classification Flavors and spices >> Synthetic spice >> Carboxylic acid and ester perfume >> Aliphatic carboxylate
Name Isobutyl Isothiocyanate
Synonyms 1-Isothiocyanato-2-Methyl-Propane; Zinc01846032; Bb_Sc-1844
Molecular Structure CAS#: 591-82-2, Isobutyl Isothiocyanate
Molecular Formula C5H9NS
Molecular Weight 115.19
CAS Registry Number 591-82-2
EINECS 209-733-2
SMILES S=C=NCC(C)C
InChI 1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3
InChIKey NSDDRJXKROCWRZ-UHFFFAOYSA-N
Properties
Density 0.9±0.1g/cm3 (Cal.)
0.94 (Expl.)
Boiling point 163.3±9.0°C at 760 mmHg (Cal.)
160-162°C (Expl.)
Flash point 44.2±26.5°C (Cal.)
24°C (Expl.)
Refractive index 1.498 (Expl.)
Safety Data
Safety Code S9;S20;S23;S26;S36/37/39;S45;S60  Details
Risk Code R10;R20/21/22;R34  Details
Hazard Symbol symbol  symbol  X;C  Details
Transport Information UN2924
Safety Description Danger: Flammable, Poison, irritates skin and eyes.
DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes
SDS Available
Market Analysis Reports
List of Reports Available for Isobutyl Isothiocyanate
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