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B25401

Sigma-Aldrich

Benzyl mercaptan

99%

Synonym(s):

α-Toluenethiol, α-Tolyl mercaptan, Benzenemethanethiol

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About This Item

Linear Formula:
C6H5CH2SH
CAS Number:
100-53-8
Molecular Weight:
124.20
Beilstein:
605864
EC Number:
202-862-5
MDL number:
MFCD00004867
UNSPSC Code:
12352100
PubChem Substance ID:
24891657
NACRES:
NA.22
Pricing and availability is not currently available.

vapor density

>4 (vs air)

Quality Level

100

Assay

99%

form

liquid

refractive index

n20/D 1.575 (lit.)

bp

194-195 °C (lit.)

density

1.058 g/mL at 25 °C (lit.)

SMILES string

SCc1ccccc1

InChI

1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

InChI key

UENWRTRMUIOCKN-UHFFFAOYSA-N

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Application

Benzyl mercaptan can be used as:
  • A nucleophilic reagent in the cleavage of proanthocyanidins into their constitutive subunits.[1]
  • A reactant in the synthesis of dithiocarboxylic esters in the presence of phosphorus pentasulfide as a catalyst.[2]
  • A modifier to functionalize the surface of CNT for enhanced interaction with Pt-nanoparticles.[3]

Pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

Signal Word

Danger

Hazard Statements

H302,H330,H410

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR1395
SHBP5215
SHBN6685
SHBL9101
SHBL5358

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Strongly enhanced interaction between evaporated Pt nanoparticles and functionalized multiwalled carbon nanotubes via plasma surface modifications: Effects of physical and chemical defects.
Yang DQ and Sacher E
The Journal of Physical Chemistry C, 112(11), 4075-4082 (2008)
Analysis of proanthocyanidin cleavage products following acid-catalysis in the presence of excess phloroglucinol.
Kennedy JA and Jones GP
Journal of Agricultural and Food Chemistry, 49(4), 1740-1746 (2001)
Phosphorus pentasulfide: A mild and versatile catalyst/reagent for the preparation of dithiocarboxylic esters.
Sudalai A, et al.
Organic Letters, 2(20), 3213-3216 (2000)
Kenji Matsuno et al.
Bioorganic & medicinal chemistry letters, 20(17), 5126-5129 (2010-08-07)
S-benzylisothiourea 3a was discovered by its ability to inhibit indoleamine-2,3-dioxygenase (IDO) in our screening program. Subsequent optimization of the initial hit 3a lead to the identification of sub-muM inhibitors 3r and 10h, both of which suppressed kynurenine production in A431
Theresa K Tiefenbrunn et al.
Protein science : a publication of the Protein Society, 18(5), 970-979 (2009-04-23)
The type 1 repeat domain from thrombospondin has potent antiangiogenic activity and a structurally interesting fold, making it an attractive target for protein engineering. Chemical synthesis is an attractive approach for studying protein domains because it enables the use of
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Questions

1–3 of 3 Questions  

  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

      Helpful?

  3. Do you have dibenzyl disulphide?

    1 answer

    1. There are currently two product options for Dibenzyl disulfide, 33820 and B21805.
      33820 Dibenzyl sulfide is has a minimum purity specification of 95%.
      See the link below to review the product:
      https://www.sigmaaldrich.com/US/en/product/aldrich/33820
      See the link below to review a sample Certificate of Analysis:
      https://www.sigmaaldrich.com/certificates/Graphics/COfAInfo/fluka/pdf/PDF331003.pdf

      B21805 Dibenzyl disulfide has a minimum purity specification of 98%.
      See the link below to review the product page:
      https://www.sigmaaldrich.com/US/en/product/aldrich/b21805
      See the link below to review a sample Certificate of Analysis:
      https://www.sigmaaldrich.com/certificates/sapfs/PROD/sap/certificate_pdfs/COFA/Q14/B21805-BULKMKCR5263.pdf

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