| Identification | More | [Name]
BUTYL ISOTHIOCYANATE | [CAS]
592-82-5 | [Synonyms]
1-BUTYL ISOTHIOCYANATE
BUTYL ISOTHIOCYANATE
ISOTHIOCYANIC ACID BUTYL ESTER
ISOTHIOCYANIC ACID N-BUTYL ESTER
N-BUTYL ISOTHIOCYANATE
N-BUTYL MUSTARD OIL
1-isothiocyanato-butan
1-Isothiocyanatobutane
Butyl mustard oil
butylmustardoil
n-Butyl isothiocyanate, 98+%
butylisothiocyanate,1-isothiocyanato-butane
Butane, 1-isothiocyanato-
BUTYL ISOTHIOCYANATE(RG)
butyl isorhodanate
butyl isorhodanide
butyl isosulfocyanate
butyl isosulfocyanide
butyl isthiocyanide
BUTYLBORONICACID | [EINECS(EC#)]
209-770-4 | [Molecular Formula]
C5H9NS | [MDL Number]
MFCD00004824 | [Molecular Weight]
115.2 | [MOL File]
592-82-5.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to yellow liquid | [Melting point ]
115 °C | [Boiling point ]
70-71 °C35 mm Hg(lit.) | [density ]
0.955 g/mL at 25 °C(lit.)
| [FEMA ]
4082 | [refractive index ]
n20/D 1.5(lit.)
| [Fp ]
66 °C
| [form ]
clear liquid | [color ]
Colorless to Light yellow | [Odor]
at 0.01 % in propylene glycol. sulfury pungent green | [Odor Type]
sulfurous | [Water Solubility ]
Insoluble in water. | [Sensitive ]
Moisture Sensitive | [JECFA Number]
1561 | [BRN ]
906839 | [Major Application]
cleaning products
cosmetics
food and beverages
personal care | [InChI]
1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3 | [InChIKey]
LIMQQADUEULBSO-UHFFFAOYSA-N | [SMILES]
CCCCN=C=S | [LogP]
2.53 | [CAS DataBase Reference]
592-82-5(CAS DataBase Reference) | [EPA Substance Registry System]
Butane, 1-isothiocyanato- (592-82-5) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
R42:May cause sensitization by inhalation. | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S39:Wear eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 1693 6.1/PG 2
| [WGK Germany ]
3
| [RTECS ]
NX8420500
| [F ]
3-21 | [Hazard Note ]
Corrosive/Moisture Sensitive | [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29309090 | [Storage Class]
8A - Combustible corrosive hazardous materials | [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 |
| Hazard Information | Back Directory | [Chemical Properties]
Butyl isothiocyanate is a clear colorless to yellow liquid；strong irritating green aroma.It is a natural product found in Capparis spinosa, Brassica carinata, and Eutrema japonicum with data available. | [Uses]
1-Butyl isothiocyanate participates in the synthesis and characterization of Poly(N-Propargylthiourea). Participates in the Synthesis of 2-Aminobenzothiazoles via Copper (I)-Catalyzed Cross-Coupling with Part-Per-Million Catalyst Loadings. Thiols reactions with 1-Butyl isothiocyanate in aquatic toxicity data in the TETRATOX assay and reactivity data in an abiotic thiol assay. utyl isothiocyanate has been used as capping reagent to immobilize the functionalized derivative of Oregon Green 514 molecular switch on a preformed amino self assembled monlayer. | [Definition]
ChEBI: Butyl isothiocyanate is an isothiocyanate having a butyl group attached to the nitrogen. It has a role as a hapten. | [Production Methods]
Butyl isothiocyanate is produced from n-Butylamine plus Carbon disulfide plus basic Lead acetate.
| [Aroma threshold values]
1.0%. Slightly pungent, rooty mustard, horseradish and wasabi-like with sulfurous onion and garlic note and a tropical nuance. | [Taste threshold values]
0.5 to 5 ppm. Horseradish and vegetative cabbage-like with rooty, wasabi, radishlike notes and leaving a
biting and metallic aftertaste. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 39, p. 1970, 1974 DOI: 10.1021/jo00927a049 | [General Description]
Butyl isothiocyanate is the main component of volatile oil of leaf, ripe fruit and root of Capparis spinosa. |
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