Identification

Namebenzyl mercaptan
IUPACphenylmethanethiol
CAS Number100-53-8
EINECS202-862-5
FDA UNIIOS34A21OBZ
Molecular FormulaC7 H8 S
Molecular Weight124.20576000
MDL NumberMFCD00004867
Nikkaji NumberJ4.011H
Beilstein0605864
CoE Number477
XlogP32.40 (est)

Regulatory

JECFA Food Flavoring526 benzyl mercaptan
DG SANTE Food Flavourings12.005 phenylmethanethiol
FEMA Number2147
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)100-53-8 ; BENZYL MERCAPTAN
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless to pale yellow clear liquid (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.05600 to 1.06000 @ 20.00 °C.
Pounds per Gallon - (est). 8.797 to 8.831
Refractive Index 1.57500 to 1.57700 @ 20.00 °C.
Melting Point -30.00 °C. @ 760.00 mm Hg
Boiling Point 194.00 to 195.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.591000 mmHg @ 25.00 °C. (est)
Vapor Density 4.1 ( Air = 1 )
Flash Point 158.00 °F. TCC ( 70.00 °C. )
logP (o/w) 2.739 (est)
Soluble in alcohol
Insoluble in water
Similar Items note

Organoleptic Properties

Odor Description
at 0.10 % in propylene glycol.
Sharp, sulfuraceous, onion, garlic, horseradish, mint and coffee
Taste Description at 15.00 ppm.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 493 mg/kg
Dermal ToxicityNot determined
Inhalation Toxicityinhalation-mouse LC50 178 ppm/4H

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for benzyl mercaptan usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)1.20 (μg/capita/day)
Structure ClassII
baked goods0.50000
beverages(nonalcoholic)0.15000
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy0.15000
fruit ices0.15000
gelatins / puddings-
granulated sugar-
gravies-
hard candy0.50000
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups-
sugar substitutes-
sweet sauces-

Fleurchem, Inc.

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Penta International Corporation

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Riverside Aromatics Ltd.

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Robertet, Inc.

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Sigma-Aldrich

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Synerzine, Inc.

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View All Website (404) 524-6744 info@synerzine.com

TCI AMERICA

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We continuously strive to advance our technology.

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Qingdao Free Trade Zone United International Co Ltd

Quality Products

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WholeChem, LLC

Connecting Innovators To the Building Blocks Of the Universe

Custom manufacturer and distributor of specialty ingredients. We make global local.

View All Website +1 (262) 995.8668 info@wholechem.com

Potential Uses

FL coffee FL garlic FL horseradish FL leek FL meat FL onion FL spice FL tomato

Natural Occurrence

coffee PMC

Synonyms

benzene methane thiol benzenemethanethiol benzhydrosulfide benzyl hydrosulfide benzyl mercaptan natural benzyl thiol benzylhydrosulphide benzylmercaptan benzylthiol alpha- cresyl mercaptan a- mercaptoluene mercaptomethylbenzene mercaptotoluene alpha- mercaptotoluene phenyl methane thiol phenyl methyl mercaptan phenylmethanethiol thiobenzyl alcohol a- toluene thiol alpha- toluene thiol toluene-a-thiol a- toluenethiol a- tolyl mercaptan alpha- tolyl mercaptan Google Patents: Synthesis of benzyl mercaptan PubMed: Nano-scale characterization of binary self-assembled monolayers under an ambient condition with STM and TERS. Google Patents: Method for preparation of benzyl mercaptan PubMed: Effect of fall-grazed sericea lespedeza (Lespedeza cuneata) on gastrointestinal nematode infections of growing goats. PubMed: Understanding the interface of six-shell cuboctahedral and icosahedral palladium clusters on reduced graphene oxide: experimental and theoretical study. PubMed: Supramolecular functionalization and concomitant enhancement in properties of Au(25) clusters. PubMed: Oxygen attachment on alkanethiolate SAMs induced by low-energy electron irradiation. PubMed: Photo-initiated thiol-ene click reactions as a potential strategy for incorporation of [M(I)(CO)3]+ (M = Re, (99m)Tc) complexes. PubMed: Hydrothiolation of benzyl mercaptan to arylacetylene: application to the synthesis of (E) and (Z)-isomers of ON 01910·Na (Rigosertib®), a phase III clinical stage anti-cancer agent. PubMed: Elements of metabolic evolution. PubMed: Condensed tannins and flavonoids from the forage legume sulla (Hedysarum coronarium). PubMed: Mono- and bi-functional arenethiols as surfactants for gold nanoparticles: synthesis and characterization. PubMed: Transparent conductive film fabrication using intercalating silver nanoparticles within carbon nanotube layers. PubMed: Extension of the benzyl alcohol route to metal sulfides: "nonhydrolytic" thio sol-gel synthesis of ZnS and SnS2. PubMed: Stable, dispersible surface-enhanced Raman scattering substrate capable of detecting molecules bound to silica-immobilized ligands. PubMed: Silanization of Ag-deposited magnetite particles: an efficient route to fabricate magnetic nanoparticle-based Raman barcode materials. PubMed: Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore. PubMed: Lossless synthesis of graphene nanosheets decorated with tiny cadmium sulfide quantum dots with excellent nonlinear optical properties. PubMed: Friction of polyaromatic thiol monolayers in adhesive and nonadhesive contacts. PubMed: Lack of nucleophilic addition in the isoxazole and pyrazole diketone modified analogs of curcumin; implications for their antitumor and chemosensitizing activities. PubMed: Protein separation and identification using magnetic beads encoded with surface-enhanced Raman spectroscopy. PubMed: Kinetics of gold nanoparticle aggregation: experiments and modeling. PubMed: Reversed-phase HPLC-ESI/MS analysis of birch leaf proanthocyanidins after their acidic degradation in the presence of nucleophiles. PubMed: Isolation and characterisation of procyanidins from Rumex obtusifolius. PubMed: Variation of proanthocyanidins in Lotus species. PubMed: Ultrafast shock compression of self-assembled monolayers: a molecular picture. PubMed: Ultrafast dynamics of self-assembled monolayers under shock compression: effects of molecular and substrate structure. PubMed: Structural identification and distribution of proanthocyanidins in 13 different hops. PubMed: Insights into the mechanism and catalysis of the native chemical ligation reaction. PubMed: Convenient synthesis of a sialylglycopeptide-thioester having an intact and homogeneous complex-type disialyl-oligosaccharide. PubMed: Relaxation dynamics and transient behavior of small arenethiol passivated gold nanoparticles. PubMed: The electrochemical characterisation of benzyl mercaptan-modified Au(111): structure and copper deposition. PubMed: Generation of thiols by biotransformation of cysteine-aldehyde conjugates with baker's yeast. PubMed: Floral procyanidins of the forage legume red clover (Trifolium pratense L.). PubMed: Specific labeling of polypeptides at amino-terminal cysteine residues using Cy5-benzyl thioester. PubMed: Delocalized electronic structure of the thiol sulfur substantially prevents nucleic acid damage induced by neocarzinostatin.