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About This Item
Linear Formula:
CH3(CH2)3NCS
CAS Number:
Molecular Weight:
115.20
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
209-770-4
Beilstein/REAXYS Number:
906839
MDL number:
Assay:
99%
Form:
liquid
Quality Segment
assay
99%
form
liquid
refractive index
n
bp
70-71 °C/35 mmHg (lit.)
density
0.955 g/mL at 25 °C (lit.)
functional group
amine, isothiocyanate
SMILES string
CCCCN=C=S
InChI
1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3
InChI key
LIMQQADUEULBSO-UHFFFAOYSA-N
General description
Butyl isothiocyanate is the main component of volatile oil of leaf, ripe fruit and root of Capparis spinosa.
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signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
150.8 °F - closed cup
flash_point_c
66 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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