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593656

Sigma-Aldrich

4-tert-Butylbenzenethiol

97%

Synonym(s):

4-tert-Butylthiophenol

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About This Item

Linear Formula:
(CH3)3CC6H4SH
CAS Number:
2396-68-1
Molecular Weight:
166.28
EC Number:
219-255-6
MDL number:
MFCD00022067
UNSPSC Code:
12352100
PubChem Substance ID:
24881461
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.5480 (lit.)

bp

238 °C (lit.)

density

0.964 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)c1ccc(S)cc1

InChI

1S/C10H14S/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3

InChI key

GNXBFFHXJDZGEK-UHFFFAOYSA-N

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Application

4-tert-Butylbenzenethiol can be used to synthesize Pd–thiolate complex by coordinating with Pd2+.The reduction of this complex forms ultrasmall palladium nanoclusters.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

>230.0 °F - closed cup

Flash Point(C)

> 110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

593656-VAR:
593656-1G:
593656-BULK:
593656-25G:
593656-5G:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Sakiat Hossain et al.
Nanoscale, 11(45), 22089-22098 (2019-11-14)
2-Phenylethanethiolate (PET) and 4-tert-butylbenzenethiolate (TBBT) are the most frequently used ligands in the study of thiolate (SR)-protected metal clusters. However, the effect of difference in the functional group between these ligands on the fundamental properties of the clusters has not
Masaaki Yusa et al.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 16(7), 1043-1048 (2017-05-10)
Under the irradiation of red light (690 nm), quinones were converted to hydroquinones by thiols in the presence of metallophthalocyanines. The reaction proceeded via the charge separation between the triplet state of phthalocyanine and the quinone. The product determining step

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