Substance
ID:306313
Names and Identifiers
IUPAC Traditional name
butyl isothiocyanate
IUPAC name
1-isothiocyanatobutane
Synonyms
n-Butyl mustard oilButyl isothiocyanate正丁基芥末油异硫氰酸丁酯
Registration numbers
Beilstein Number
MDL Number
CAS Number
EC Number
PubChem SID
FEMA ID
Flavis Number
Properties
Physical Property
Boiling Point
70-71 °C/35 mmHg(lit.)
Solubility
alcohol: soluble
H2O: insoluble
oil: soluble
Flash Point
150.8 °F
66 °C
Organoleptic
vegetable; green
Refractive Index
n20/D 1.5(lit.)
Density
0.955 g/mL at 25 °C(lit.)
Safety Information
European Hazard Symbols
Corrosive (C)Safety Statements
23-26-36/37-39-45
German water hazard class
3
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Risk Statements
20/21/22-34-42
GHS Precautionary statements
P261-P280-P305+P351+P338-P310
RTECS
NX8420500
GHS Pictograms
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Respiratory sensitization, category 1
Germ cell mutagenicity, categories 1A,1B,2
Carcinogenicity, categories 1A,1B,2
Reproductive toxicity, categories 1A,1B,2
Specific Target Organ Toxicity – Single exposure, categories 1,2
Specific Target Organ Toxicity – Repeated exposure, categories 1,2
Aspiration Hazard, category 1
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Hazard Class
6.1
Packing Group
2
GHS Signal Word
Danger
GHS Hazard statements
H302-H312-H314-H317-H332-H334
UN Number
2927
MSDS Link
RID/ADR
UN 2927 6.1/PG 2
Product Information
Linear Formula
CH3(CH2)3NCS
Purity
≥98.5%
Molecule Details
Application
Possible uses: wasabi, horseradish, salad dressings, onion and garlic notes, tropical fruit nuances.1
Biochem/physiol Actions
Odor at 1.0%: slightly pungent, rooty mustard, horseradish and wasabi-like; sulfurous onion and garlic note with a tropical nuance.1
Taste at 0.5-5 ppm: horseradish and vegetative cabbage-like; rooty, wasabi radish-like notes; biting and metallic aftertaste.1
Possible uses: wasabi, horseradish, salad dressings, onion and garlic notes, tropical fruit nuances.1
Biochem/physiol Actions
Odor at 1.0%: slightly pungent, rooty mustard, horseradish and wasabi-like; sulfurous onion and garlic note with a tropical nuance.1
Taste at 0.5-5 ppm: horseradish and vegetative cabbage-like; rooty, wasabi radish-like notes; biting and metallic aftertaste.1
Molecular Spectra
No Data Available
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References
No Data Available
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