ChemicalBook--->CAS DataBase List--->591-82-2

591-82-2

591-82-2 Structure

591-82-2 Structure
IdentificationMore
[Name]

ISOBUTYL ISOTHIOCYANATE
[CAS]

591-82-2
[Synonyms]

1-ISOTHIOCYANATO-2-METHYL-PROPANE
ISOBUTYL ISOTHIOCYANATE
ISOTHIOCYANIC ACID ISOBUTYL ESTER
1-isothiocyanato-2-methyl-propan
2-Methylpropyl isothiocyanate
2-methylpropylisothiocyanate
i-Butyl isothiocyanate
i-butylisothiocyanate
Propane, 1-isothiocyanato-2-methyl-
Isobutylisothiocyanate,97%
isobutyl mustard oil
Isothiocyanic acid isobutyl est
[EINECS(EC#)]

209-733-2
[Molecular Formula]

C5H9NS
[MDL Number]

MFCD00022062
[Molecular Weight]

115.2
[MOL File]

591-82-2.mol
Chemical PropertiesBack Directory
[Boiling point ]

160 °C
[density ]

0.94
[FEMA ]

4424 | ISOBUTYL ISOTHIOCYANATE
[refractive index ]

1.4980
[Fp ]

24°C
[solubility ]

Insoluble in water, soluble in alcohol and oils.
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[Specific Gravity]

0.94
[Odor]

green
[Water Solubility ]

Hydrolyzes with water.
[Sensitive ]

Moisture Sensitive
[JECFA Number]

1886
[BRN ]

1740371
[InChI]

1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3
[InChIKey]

NSDDRJXKROCWRZ-UHFFFAOYSA-N
[SMILES]

CC(C)CN=C=S
[LogP]

2.35
[CAS DataBase Reference]

591-82-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS02,GHS05,GHS06
[Signal word ]

Danger
[Hazard statements ]

H226-H301-H311-H314-H318-H332
[Precautionary statements ]

P210-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a
[Hazard Codes ]

F,C
[Risk Statements ]

R10:Flammable.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

1992
[WGK Germany ]

WGK 3
[RTECS ]

NX8780100
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29309090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Flam. Liq. 3
Skin Corr. 1B
Hazard InformationBack Directory
[Chemical Properties]

Colorless to yellow liquid; green, pungent aroma.
[Occurrence]

Not reported found nature
[Uses]

It is isothiocyanate compound used for proteomics research.
[Aroma threshold values]

Very high strength odor; recommend smelling in a 0.01% solution or less.
[Synthesis]

Isobutyl isothiocyanate is produced from iso-Butylamine plus Carbon disulfide plus basic Lead acetate.
Spectrum DetailBack Directory
[Spectrum Detail]

ISOBUTYL ISOTHIOCYANATE(591-82-2)MS
ISOBUTYL ISOTHIOCYANATE(591-82-2)1HNMR
ISOBUTYL ISOTHIOCYANATE(591-82-2)13CNMR
ISOBUTYL ISOTHIOCYANATE(591-82-2)IR1
ISOBUTYL ISOTHIOCYANATE(591-82-2)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Isobutyl isothiocyanate, 97%(591-82-2)
[Alfa Aesar]

Isobutyl isothiocyanate, 97%(591-82-2)
[TCI AMERICA]

Isobutyl Isothiocyanate,>97.0%(GC)(591-82-2)
591-82-2 suppliers list
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: BeiJing Hwrk Chemicals Limted  
Telephone: 0757-86329057 18934348241
Website: www.hwrkchemical.com/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Shanghai Sinch Parmaceuticals Tech. Co. Ltd.  
Telephone: +86-21-54098501
Website: www.sinch.com.cn
Company Name: Adamas Reagent, Ltd.  
Telephone: 400-6009262 15618770481
Website: www.tansoole.com
Company Name: Shandong Xiya Chemical Co., Ltd  
Telephone: 13355009207 13355009207
Website: http://www.xiyashiji.com
Company Name: Maya High Purity Chemicals  
Telephone: +86 (573) 82222445 (0)18006601000 452520369
Website: www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm
Company Name: Beijing Taiya Jie Technology Development Co., Ltd.  
Telephone: 021-33690831-8001 13552411790;18616022633
Website: http://www.tyj-chem.com/
Company Name: Thermo Fisher Scientific  
Telephone: 800-810-5118
Website: www.thermo.com.cn
Company Name: Nanjing Norris-Pharm Technology Co., Ltd  
Telephone: 13901585132
Website:
Company Name: Shanghai Jian Chao Chemical Technology Co., Ltd.  
Telephone: 150-2103-5486 18017383231
Website:
Company Name: 9ding chemical ( Shanghai) Limited  
Telephone: 4009209199
Website: www.9dingchem.com
Company Name: Shanghai Aladdin Bio-Chem Technology Co.,LTD  
Telephone: 400-6206333 13167063860
Website: www.aladdin-e.com/
Company Name: Beijing FYF Chemicals Co., Ltd  
Telephone: 010-57903446 15869909019
Website: http://www.fyfchem.com
Company Name: Shanghai Song Yuan Chemical Technology Co., Ltd.  
Telephone: 010-1234567 18521000990
Website: www.chemicalbook.com/ShowSupplierProductsList16435/0_EN.htm
Tags:591-82-2 Related Product Information
592-82-5 2253-73-8 542-85-8 6099-88-3 4411-26-1 33522-03-1 4426-79-3 6590-97-2 2131-61-5 1985-12-2 3326-32-7 622-78-6 24066-82-8 628-30-8 593-84-0 103-72-0 556-61-6 16182-04-0