EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

thiobenzoic acid
benzoic acid, thio-

Supplier Sponsors

Name:benzenecarbothioic S-acid
CAS Number: 98-91-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-712-9
FDA UNII: GBG5RLO56N
Nikkaji Web:J60.351A
Beilstein Number:2039640
MDL:MFCD00004852
XlogP3:2.40 (est)
Molecular Weight:138.18902000
Formula:C7 H6 O S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:pharmaceuticals / chemical synthisis
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.17400 @ 25.00 °C.
Melting Point: 24.00 °C. @ 760.00 mm Hg
Boiling Point: 222.05 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.104000 mmHg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 1.645 (est)
Soluble in:
 water, 1867 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Thiobenzoic acid 95%
Santa Cruz Biotechnology
For experimental / research use only.
Thiobenzoic acid
Sigma-Aldrich: Aldrich
For experimental / research use only.
Thiobenzoic acid technical grade, 90%
sds
TCI AMERICA
For experimental / research use only.
Thiobenzoic Acid >93.0%(T)
sds
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LDLo 250 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: COMA
Proceedings of the Society for Experimental Biology and Medicine. Vol. 115, Pg. 198, 1964.

intraperitoneal-rat LD50 350 mg/kg
Bollettino Chimico Farmaceutico. Vol. 112, Pg. 53, 1973.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
pharmaceuticals / chemical synthisis
Recommendation for thiobenzoic acid usage levels up to:
 not for fragrance use.
 
Recommendation for thiobenzoic acid flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):98-91-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7414
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
benzenecarbothioic S-acid
Chemidplus:0000098919
RTECS:DH6839000 for cas# 98-91-9
 
References:
 benzenecarbothioic S-acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):7414
Pubchem (sid):134971469
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2930.90.2900
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzenecarbothioic acid
 benzenecarbothioic S-acid
 benzoic acid, thio-
 

Articles:

US Patents:3,931,270 - Process for producing 2-thia substituted 1,4 diones
PubMed:Role of keto-enol tautomerization in a chiral phosphoric acid catalyzed asymmetric thiocarboxylysis of meso-epoxide: a DFT study.
PubMed:Facile Access to 5'-S-(4,4'-Dimethoxytrityl)-2',5'-Dideoxyribonucleosides via Stable Disulfide Intermediates.
PubMed:Synthesis and structures of cadmium carboxylate and thiocarboxylate compounds with a sulfur-rich coordination environment: carboxylate exchange kinetics involving tris(2-mercapto-1-t-butylimidazolyl)hydroborato cadmium complexes, [Tm(Bu(t))]Cd(O2CR).
PubMed:Far- and near-field properties of gold nanoshells studied by photoacoustic and surface-enhanced Raman spectroscopies.
PubMed:Simultaneous solid phase extraction and derivatization of aliphatic primary amines prior to separation and UV-absorbance detection.
PubMed:Novel o-naphthoquinones induce apoptosis of EL-4 T lymphoma cells through the increase of reactive oxygen species.
PubMed:Synthesis, spectroscopic, thermal and antimicrobial studies of toluene-3,4-dithiolatoarsenic(III) derivatives with some oxygen and sulphur donor ligands.
PubMed:A SABATH Methyltransferase from the moss Physcomitrella patens catalyzes S-methylation of thiols and has a role in detoxification.
PubMed:New chemotypes acting as isozyme-selective carbonic anhydrase inhibitors with low affinity for the offtarget cytosolic isoform II.
PubMed:Fabrication of nano-indented cavities on Au for the detection of chemically-adsorbed DTNB molecular probes through SERS effect.
PubMed:Biotransformation of prasugrel, a novel thienopyridine antiplatelet agent, to the pharmacologically active metabolite.
PubMed:Synthesis and characterization of toluene-3,4-dithiolatoantimony(III) derivatives with some oxygen and/or sulphur donor ligands.
PubMed:Linker effects on monolayer formation and long-range electron transfer in helical peptide monolayers.
PubMed:Anti-VEGF receptor antagonist (VGA1155) reduces infarction in rat permanent focal brain ischemia.
PubMed:Cytotoxicity of triorganophosphinegold(i) complexes of thiobenzoate.
PubMed:Determination of total and oxidized glutathione in human whole blood with a sequential injection analysis system.
PubMed:Expeditious synthesis of steroids containing a 2-methylsulfanyl-acetyl side chain as potential glucocorticoid receptor imaging agents.
PubMed:Colorimetric activity measurement of a recombinant putrescine N-methyltransferase from Datura stramonium.
PubMed:Towards high capacity latex-coated porous polymer monoliths as ion-exchange stationary phases.
PubMed:NMR spectra and dynamics of the sodium salt of per(6-thiobenzoic acid)-gamma-cyclodextrin.
PubMed:11C-Radiosynthesis and preliminary human evaluation of the disposition of the ACE inhibitor [11C]zofenoprilat.
PubMed:A stereospecific colorimetric assay for (S,S)-adenosylmethionine quantification based on thiopurine methyltransferase-catalyzed thiol methylation.
PubMed:Hydrogen peroxide-induced apoptosis of HL-60 human leukemia cells is mediated by the oxidants hypochlorous acid and chloramines.
PubMed:Differential regulation of three catalytic activities of platelet-activating factor (PAF)-dependent transacetylase.
PubMed:Fluorescence characterization of structural transitions at the strong actin binding motif in skeletal myosin affinity labeled at cysteine 540 with novel spectroscopic cysteaminyl mixed disulfides.
PubMed:Quenching of beta-lactoglobulin fluorescence by 2-nitro-5-thiobenzoic acid.
PubMed:Detection of nucleotide- and F-actin-induced movements in the switch II helix of the skeletal myosin using its differential oxidative cleavage mediated by an iron-EDTA complex disulfide-linked to the strong actin binding site.
PubMed:Preparation of 2-nitro-5-thiobenzoic acid using immobilized Tris(2-carboxyethyl)phosphine.
PubMed:Interaction of nitric oxide with 2-thio-5-nitrobenzoic acid: implications for the determination of free sulfhydryl groups by Ellman's reagent.
PubMed:Roles for the two cysteine residues of AhpC in catalysis of peroxide reduction by alkyl hydroperoxide reductase from Salmonella typhimurium.
PubMed:Determination of the myeloperoxidase-hydrogen peroxide-halide system activity following the respiratory burst of human neutrophils.
PubMed:Analysis of disulfide-linked homo- and hetero-peptide dimers with a strong cation-exchange sulfoethyl aspartamide column.
PubMed:Labeling of cysteine-containing peptides with 2-nitro-5-thiobenzoic acid.
PubMed:Evidence for distinct sulfhydryl groups associated with steroid- and DNA-binding domains of rat thymus glucocorticoid receptors.
PubMed:Inhibition of anion transport in human red blood cells by 5,5'-dithiobis(2-nitrobenzoic acid).
PubMed:Crosslinking by thiol disulfide interchange of 5,5'-dithiobis(2-nitrobenzoic acid)-treated light chain and heavy chain of rabbit skeletal myosin.
PubMed:Spectrophotometric determination of bromopyruvate by reaction with 2-nitro-5-thiobenzoic acid.
PubMed:Aerobic oxidation of p-hydroquinone by horse radish peroxidase in the presence of a thiol and MnCl2.
PubMed:A rapid assay for catechol oxidase and lactase using 2-nitro-5-thiobenzoic acid.
PubMed:Photochemical transformations. XXX. Photolysis of thiobenzoic acid O-esters. I. Photolysis of O-cholesteryl thiobenzoate.
PubMed:Determination of benzoyl bisulphide by desulphurisation and solvolysis.
 
Notes:
None found
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy