Benzyl mercaptan supplier | CasNO.100-53-8

Name
Benzyl mercaptan
EINECS 202-862-5
CAS No. 100-53-8
Article Data246
CAS DataBase
Density 1.058 g/cm³
Solubility Not miscible or difficult to mix in water.
Melting Point -29 °C
Formula C₇H₈S
Boiling Point 195.3 °C at 760 mmHg
Molecular Weight 124.207
Flash Point 70 °C
Transport Information 2810
Appearance colourless liquid with a leek or garlic-like odour
Safety 23-26-36/37/39-45-61-60
Risk Codes 22-23-50/53
Molecular Structure
Hazard Symbols T,N
Synonyms alpha-Toluolthiol;alpha-Toluenethiol;toluene-α-thiol;Benzylmercaptan;Benzyl mercaptan 96%;r-Toluenethiol;Toluene-alpha-thiol;alpha-Tolyl mercaptan;Benzyl hydrosulfide;Benzylthiol;.alpha.-Mercaptotoluene;alpha-Mercaptotoluene;.alpha.-Toluenethiol;Toluene, alpha-mercapto-;(Mercaptomethyl)benzene;Benzylhydrosulfide;benzenemethanethiol;Thiobenzyl alcohol;phenylmethanethiol;Methanethiol, phenyl-;
PSA 38.80000
LogP 2.11640

Synthetic route

: 100-44-7
benzyl chloride

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With hydrosulfide exchange resin In acetonitrile at 25℃; for 0.25h;	98%
With thiourea In ethanol for 0.166667h; Reflux;	95%
With hydrosulfide exchange resin (from Amberlite IRA-400); triethylamine hydrochloride In methanol for 1h; Ambient temperature;	87%

: 150-60-7
dibenzyl disulphide

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With sodium hydrogen telluride In ethanol 1.) 0 deg C, 2.) 40 deg C, 30 min;	97%
With sodium hydrogen telluride In ethanol Product distribution; 1.) 0 deg C, 2.) 40 deg C, 30 min; reductive cleavage of sulfur-sulfur bonds in dialkyl, diaryl disulfides and organic thiosulfites;	97%
With triethylphosphine In tetrahydrofuran; water for 1h; Ambient temperature;	96%

: 934-87-2
S-phenyl thioacetate

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether at 22 - 25℃; for 0.5h;	97%

: 100-39-0
benzyl bromide

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
Stage #1: benzyl bromide With potassium carbonate; tiolacetic acid In methanol at 20℃; for 0.5h; Stage #2: With potassium carbonate In methanol at 20℃; for 0.5h;	96%
With hydrosulfide exchange resin (from Amberlite IRA-400); triethylamine hydrochloride In methanol for 1h; Ambient temperature;	88%
Stage #1: benzyl bromide With thiourea In water at 100℃; for 2h; Inert atmosphere; Stage #2: With sodium hydroxide In water; toluene at 60℃; for 1h;	84%

: 32362-99-5
benzylthioacetate

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With acetyl chloride In methanol at 25 - 30℃; for 3h;	96%
With potassium carbonate In methanol at 20℃; for 0.5h;	96%
With palladium diacetate In methanol for 1h; Heating;	95%

: 167872-03-9
Thiocarbonic acid S-benzyl ester O-[1-(3,5-dimethoxy-phenyl)-2-oxo-2-phenyl-ethyl] ester

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
In benzene for 1h; Irradiation;	95%

: 607731-44-2
1-[[(Z)-2-(benzylsulfanyl)vinyl]sulfonyl]-4-methylbenzene

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With pyrrolidine In acetonitrile at 20℃;	95%

: 2-(2-methoxyphenoxy)-1-phenylethan-1-ol

A: 90-05-1
2-methoxy-phenol

B: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With hydrogen In water at 180℃; under 7500.75 Torr; for 5h; Reagent/catalyst; Temperature; Autoclave;	A 95% B 12%

: C12H16OS2

: 75-04-7
ethylamine

A: O-isobutyl N-ethylthiocarbamate

B: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
In water at 70℃; for 2h;	A 94.27% B n/a
at 70℃; for 2h;

...Expand

: 89647-16-5
1-(2-Benzylsulfanyl-2-methyl-propane-1-sulfonyl)-4-methyl-benzene

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With potassium tert-butylate In tert-butyl alcohol for 0.5h; Product distribution; Ambient temperature; further reagents: CH3ONa, CH3OLi, KOH, other solvent: CH3OH; cleavage of various adducts;	93%

: 84495-76-1
N-Phenyl-thioformimidic acid benzyl ester

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With hydrogenchloride In water Ambient temperature;	92%

: 2408-88-0
2-benzylsulfanyl-1-phenylethanone

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With magnesium; acetic acid In methanol at 20℃;	92%

: C22H18O3S

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
Stage #1: C22H18O3S With sodium hypochlorite In dichloromethane; water at 20℃; Stage #2: at 80℃; for 12h;	90%

: 6313-36-6
benzyl thiosulphate

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With sodium hydrogen telluride In ethanol 1.) 0 deg C, 2.) 40 deg C, 30 min;	89%

: [Zn(HB(C3H2N2SC6H4(OCH3))2(CH3C3HN2(C6H5)))SCH2C6H5]

: 74-88-4
methyl iodide

A: [Zn(HB(C3H2N2SC6H4(OCH3))2(CH3C3HN2(C6H5)))I]

B: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
In chloroform 1:1 mixt. stirred for 10 min; evapd., washed (Et2O), dried (vac.); NMR;	A 89% B n/a

...Expand

: 57337-85-6
trimethyl(4-mercaptomethylphenyl)silane

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With potassium trimethylsilonate In dimethyl sulfoxide at 60℃; under 760.051 Torr; for 12h; Catalytic behavior; Reagent/catalyst; Solvent; Sealed tube;	88%

: 100-39-0
benzyl bromide

A: 538-74-9
dibenzyl sulfide

B: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With potassium carbonate; tiolacetic acid In methanol at 20℃; for 0.5h;	A 87% B 13%

: 26504-29-0
dibenzyl trithiocarbonate

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With diisobutylaluminium hydride In toluene at 110℃;	86%

: 3012-37-1
benzyl thiocyanate

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With tetraphosphorus decasulfide In toluene for 1.5h; Solvent; Reagent/catalyst; Reflux;	85%
With diethyl ether; ethylmagnesium bromide
With diethyl ether; phenylmagnesium bromide

: 100-51-6
benzyl alcohol

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
Stage #1: benzyl alcohol With sodium sulfide; sodium hydrogencarbonate In ethanol for 2h; Reflux; Enzymatic reaction; Stage #2: With hydrogenchloride In ethanol; water Reagent/catalyst;	85%
Stage #1: benzyl alcohol With N-Bromosuccinimide; triphenylphosphine In acetone at -10 - 25℃; Substitution; Stage #2: With polymer supported hydrosulfide resin In acetone at 25℃; for 0.166667h; Substitution;	81%
With Lawessons reagent In toluene for 48h; Heating;	55%

: 67-56-1
methanol

: 27249-90-7
benzyl dithiobenzoate

A: 5873-86-9
methyl thiobenzoate

B: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With sodium hydroxide In water at 20℃; for 1h;	A 82% B n/a

...Expand

: 42049-35-4
S-benzyl thiocarbamate

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
Stage #1: benzyl S-thiocarbamate With tetraphosphorus decasulfide In toluene Reflux; Stage #2: With water Acidic conditions;	80%

: 6937-97-9
allyl(benzyl)sulfide

A: 26551-50-8
1-benzylsulfanyl-3-chloro-propan-2-ol

B: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With water; copper dichloride; lithium tetrachloropalladate(II) In N,N-dimethyl-formamide at 50℃; for 24h;	A 78.7% B 10%

: 61775-34-6
SS-benzyl O-methyl carbono(dithioperoxoate)

A: 72050-07-8
methyl α-(phenylthio)acetate

B: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With triphenylphosphine In benzene Ambient temperature;	A 78% B 21%

: 621-84-1
O-benzyl carbamate

: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With tetraphosphorus decasulfide In toluene for 3h; Solvent; Reflux;	75%

: 156275-86-4
Benzylsulfanyl-triisopropyl-silane

A: 426-67-5
triisopropylsilyl fluoride

B: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride; water In tetrahydrofuran 1.) 25 deg C, 1 h;	A n/a B 73%

: 101561-50-6
benzyl 2-methylprop-2-en-1-yl sulfide

A: 100-53-8
phenylmethanethiol

B: 1-Benzylsulfanyl-3-chloro-2-methyl-propan-2-ol

Conditions

Conditions	Yield
With water; copper dichloride; lithium tetrachloropalladate(II) In N,N-dimethyl-formamide at 50℃; for 48h;	A 10% B 72.6%

: 26504-30-3
O,S-dibenzyl dithiocarbonate

A: 538-74-9
dibenzyl sulfide

B: 26504-28-9
dithiocarbonic acid S,S'-dibenzyl ester

C: 100-53-8
phenylmethanethiol

Conditions

Conditions	Yield
Aliquat 336 at 100℃; for 1.5h; Yields of byproduct given;	A n/a B 70% C n/a

...Expand

: 538-28-3
S-benzylisothiourea hydrochloride

A: 100-53-8
phenylmethanethiol

B: 108-88-3
toluene

Conditions

Conditions	Yield
In water; acetic acid electroreduction on Hg-cathode, 0.8 A;	A 70% B 13%

: 108-24-7
acetic anhydride

: 100-53-8
phenylmethanethiol

: 32362-99-5
benzylthioacetate

Conditions

Conditions	Yield
Stage #1: acetic anhydride With molybdenium(VI) dioxodichloride In dichloromethane at 20℃; for 0.5h; Stage #2: phenylmethanethiol In dichloromethane at 20℃; for 4h;	100%
With silica gel for 0.0533333h; Microwave irradiation; neat (no solvent);	100%
yttria-stabilized zirconia In acetonitrile for 6h; Heating;	97%

: 100-53-8
phenylmethanethiol

: 150-60-7
dibenzyl disulphide

Conditions

Conditions	Yield
With pyridine chromium peroxide for 0.02h; Product distribution; effect of various chromium(VI) based oxidants;	100%
With barium ferrate(VI) In benzene for 1h; Product distribution; Heating;	100%
With pyridine chromium peroxide for 0.02h;	100%

: 75-52-5
nitromethane

: 108-94-1
cyclohexanone

: 100-53-8
phenylmethanethiol

: 335458-24-7
1-benzylthio-1-nitromethylcyclohexane

Conditions

Conditions	Yield
With piperidine In benzene	100%
With piperidine In acetonitrile for 4h; Heating;	96%
With piperidine In acetonitrile for 4h; Heating / reflux;	22%
With piperidine In benzene Heating;

...Expand

: 75-52-5
nitromethane

: 120-92-3
cyclopentanone

: 100-53-8
phenylmethanethiol

: 335458-23-6
1-benzylthio-1-nitromethylcyclopentane

Conditions

Conditions	Yield
With piperidine In benzene	100%
With piperidine In acetonitrile for 4h; Heating;	94%
With piperidine In benzene Heating;

...Expand

: 102-96-5
(2-nitroethenyl)benzene

: 100-53-8
phenylmethanethiol

: 34980-76-2, 63509-10-4, 63509-11-5
benzyl (2-nitro-1-phenylethyl) sulfide

Conditions

Conditions	Yield
at 20℃; for 0.1h; Michael addition; neat (no solvent);	100%
at 20℃; for 2h; Michael addition; Neat (no solvent); regioselective reaction;	92%
In water at 20℃; for 1h; thia-Michael addition;	91%
With 2,2'-azobis(isobutyronitrile); quinoclamine; N,N-dimethyl-formamide; Quinine In toluene

: 96-09-3
styrene oxide

: 100-53-8
phenylmethanethiol

: 117037-28-2
1-(1-phenyl-2-hydroxy) ethyl-benzyl sulfide

Conditions

Conditions	Yield
With erbium(III) triflate In acetonitrile at 25℃; for 0.75h;	100%
aluminum oxide; molybdenum(VI) oxide at 20℃; for 0.25h;	89%
ammonium cerium(IV) nitrate In acetonitrile for 1.5h; Heating;	70%
With 2C21H12N3O6(3-)Co(3+)17H2O*Tb(3+) In neat (no solvent) at 25℃; for 4h; Reagent/catalyst; regioselective reaction;	86 %Chromat.

: 87-41-2
2-benzofuran-1(3H)-one

: 100-53-8
phenylmethanethiol

: 1218-59-3
2-<(Benzylthio)methyl>benzoic acid

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide; mineral oil for 45h; Reflux;	100%
With sodium hydride In N,N-dimethyl-formamide for 24h; Heating;	99%
	58%
With sodium ethanolate In ethanol

: 100-39-0
benzyl bromide

: 100-53-8
phenylmethanethiol

: 538-74-9
dibenzyl sulfide

Conditions

Conditions	Yield
Stage #1: phenylmethanethiol With potassium hydroxide In methanol at 70℃; for 0.25h; Inert atmosphere; Schlenk technique; Green chemistry; Stage #2: benzyl bromide With copper(l) iodide In methanol at 110℃; for 12h; Inert atmosphere; Schlenk technique; Green chemistry;	100%
Stage #1: phenylmethanethiol With sodium methylate In methanol at -10℃; for 0.166667h; Stage #2: benzyl bromide In methanol at 20℃;	96%
Stage #1: phenylmethanethiol With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere; Stage #2: benzyl bromide In tetrahydrofuran at 20℃; for 4h; Inert atmosphere;	92%

: 816-39-7
1,3-dibromoroacetone

: 100-53-8
phenylmethanethiol

: 19216-97-8
1,3-Bis<(phenylmethyl)thio>-2-propanone

Conditions

Conditions	Yield
With sodium In ethanol at -5℃; for 4h;	100%

: 627-03-2
3-oxapentanoic acid

: 100-53-8
phenylmethanethiol

: 32363-07-8
benzyl ethoxyethanothioate

Conditions

Conditions	Yield
With pyridine; O-phenyl phosphorodichloridate In 1,2-dimethoxyethane for 16h; Ambient temperature;	100%

: 88766-29-4
(methoxycarbonyl)disulfanyl chloride

: 100-53-8
phenylmethanethiol

: 94839-63-1
Methoxycarbonyl benzyl trisulfane

Conditions

Conditions	Yield
In dichloromethane at -78℃; for 1h;	100%

: 409108-52-7
Benzylthiosulfenylchlorid

: 100-53-8
phenylmethanethiol

: 6493-73-8
dibenzyltrisulfide

Conditions

Conditions	Yield
With pyridine In diethyl ether for 0.5h;	100%

: 129397-81-5
methyl (((9H-fluoren-9-yl)methoxy)carbonyl)-L-phenylalaninate

: 100-53-8
phenylmethanethiol

A: 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate

B: 9-benzylthiomethylfluorene

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In N,N-dimethyl-formamide for 0.0333333h; Product distribution; other protected peptides, other thiol, var. TBAF conc., var. time, var. solvent, with or without ultrasound mixing;	A n/a B 100%
With tetrabutyl ammonium fluoride In N,N-dimethyl-formamide for 0.05h;	A n/a B 100%

...Expand

: 34162-79-3
vinylidene-1,1-diphosphonic acid

: 100-53-8
phenylmethanethiol

: 87774-70-7
(2-Benzylsulfanyl-1-phosphono-ethyl)-phosphonic acid

Conditions

Conditions	Yield
With acetic acid; triethylamine at 110℃; for 15h; Product distribution; reaction of vinylidenediphosphonic acid with various thiols;	100%
With acetic acid; triethylamine at 110℃; for 15h;	100%

: 75-52-5
nitromethane

: 100-53-8
phenylmethanethiol

: 67-64-1
acetone

: 105780-12-9
benzyl(2-methyl-1-nitropropan-2-yl)sulfane

Conditions

Conditions	Yield
With piperidine In benzene	100%
With piperidine In tetrahydrofuran for 12h; Heating;	96%
With piperidine for 15h; Heating;	49%
In benzene at 100℃; for 22h; Dean-Stark;	23%
With piperidine In benzene for 10h; Reflux; Inert atmosphere;

...Expand

: 100-53-8
phenylmethanethiol

: 409108-52-7
Benzylthiosulfenylchlorid

Conditions

Conditions	Yield
With pyridine; sulfur dichloride In diethyl ether at -78℃; for 0.5h;	100%

: 91-01-0
1,1-Diphenylmethanol

: 100-53-8
phenylmethanethiol

: 6622-09-9
benzhydryl(benzyl)sulfane

Conditions

Conditions	Yield
With benzyl alcohol; aluminium dodecatungsten phosphate In dichloromethane at 20℃; for 4h;	100%
With methanesulfonic acid at 80℃; for 0.0833333h; Microwave irradiation; Ionic liquid;	99%
With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 0.0166667h;	99%
With toluene-4-sulfonic acid In acetonitrile for 12h; Reflux;	97%
With toluene-4-sulfonic acid In benzene

: 100-53-8
phenylmethanethiol

: 70-11-1
α-bromoacetophenone

: 2408-88-0
2-benzylsulfanyl-1-phenylethanone

Conditions

Conditions	Yield
With sodium carbonate In methanol; water at 20℃; for 0.5h;	100%
With sodium ethanolate In ethanol for 0.166667h; Reflux; Inert atmosphere;	99%
With potassium carbonate In acetonitrile for 3h; Inert atmosphere;	95%

: 100-53-8
phenylmethanethiol

: 176257-53-7
[(3aR,5S,6aR)-5-Azidomethyl-2,2-dimethyl-dihydro-furo[2,3-d][1,3]dioxol-(6Z)-ylidene]-acetic acid methyl ester

: ((3aR,5R,6S,6aS)-5-Azidomethyl-6-benzylsulfanyl-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl)-acetic acid methyl ester

Conditions

Conditions	Yield
With lithium methanolate In methanol for 0.0833333h;	100%

: 100-53-8
phenylmethanethiol

: 251982-26-0
acetic acid 3-acetoxy-6-acetoxymethyl-2-(4,5-diacetoxy-2-acetoxymethyl-6-but-3-enyloxy-tetrahydro-pyran-3-yloxy)-5-(3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-4-yl ester

: acetic acid 3-acetoxy-6-acetoxymethyl-2-[4,5-diacetoxy-2-acetoxymethyl-6-(4-benzylsulfanyl-butoxy)-tetrahydro-pyran-3-yloxy]-5-(3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-4-yl ester

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) In 1,4-dioxane at 50 - 80℃; Addition;	100%

: 100-53-8
phenylmethanethiol

: 221636-53-9
N,N-dimethyl-5,7-bis(trifluoroacetyl)-8-quinolylamine

: 268745-25-1
1-[8-Benzylsulfanyl-5-(2,2,2-trifluoro-acetyl)-quinolin-7-yl]-2,2,2-trifluoro-ethanone

Conditions

Conditions	Yield
In acetonitrile for 8h; Substitution; Heating;	100%

: 4897-68-1
2-iodo-4-methoxybromobenzene

: 100-53-8
phenylmethanethiol

: 334708-27-9
2-benzylsulfanyl-1-bromo-4-methoxy-benzene

Conditions

Conditions	Yield
With triethylamine; 1,1'-bis-(diphenylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium(0) In N,N-dimethyl-formamide at 70℃; for 2.5h;	100%
With 1,1'-bis-(diphenylphosphino)ferrocene; triethylamine; bis(dibenzylideneacetone)-palladium(0) In N,N-dimethyl-formamide at 70℃; for 3h;

: 74-97-5
chlorobromomethane

: 100-53-8
phenylmethanethiol

: 3970-13-6
benzyl chloromethyl sulfide

Conditions

Conditions	Yield
With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride at 20℃; for 1h;	100%

: 75-52-5
nitromethane

: 100-53-8
phenylmethanethiol

: 78-93-3
butanone

: 335458-22-5
2-benzylthio-2-nitromethylbutane

Conditions

Conditions	Yield
With piperidine In benzene	100%
With ethylenediamine In acetonitrile for 8h; Heating;	95%
With ethylenediamine In acetonitrile

...Expand

: 75-52-5
nitromethane

: 100-53-8
phenylmethanethiol

: 502-42-1
cycloheptanone

: 335458-25-8
1-benzylthio-1-nitromethylcycloheptane

Conditions

Conditions	Yield
With piperidine In benzene	100%
With ethylenediamine In acetonitrile for 12h; Heating;	83%

...Expand

: 638-10-8
ethyl 3-methylbut-2-enoate

: 100-53-8
phenylmethanethiol

: 377092-98-3
ethyl 3-methyl-3-benzylthiobutanoate

Conditions

Conditions	Yield
With sodium ethanolate In ethanol at 20 - 50℃; for 36h;	100%

: 100-53-8
phenylmethanethiol

: 161581-95-9
(4-bromo-phenyl)-(2-fluoro-4-methoxy-phenyl)-methanone

: 663152-21-4
(2-benzylsulfanyl-4-methoxyphenyl)(4-bromophenyl)methanone

Conditions

Conditions	Yield
Stage #1: phenylmethanethiol With potassium tert-butylate In tetrahydrofuran at 20℃; for 0.5h; Stage #2: (4-bromo-phenyl)-(2-fluoro-4-methoxy-phenyl)-methanone In tetrahydrofuran at 20℃; for 1.5h;	100%
With potassium tert-butylate In tetrahydrofuran at 20℃;

: 13894-21-8
ethynyl p-tolyl sulfone

: 100-53-8
phenylmethanethiol

: 1-[[(E)-2-(benzylsulfanyl)vinyl]sulfonyl]-4-methylbenzene

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 0℃; for 0.333333h;	100%

: 100-53-8
phenylmethanethiol

: 133613-71-5
(4R,5aS,7aS,7bR)-5,5a,6,7,7a,7b-hexahydro-7b-hydroxy-4-methyl-indeno[1,7-bc]furan-2(4H)-one

: 3β-(benzylthio)-2aβ,3-dihydrogaliellalactone

Conditions

Conditions	Yield
In ethanol at 20℃; for 12h;	100%

: 107-08-4
1-iodo-propane

: 100-53-8
phenylmethanethiol

: 22336-59-0
benzyl propyl sulfide

Conditions

Conditions	Yield
Stage #1: phenylmethanethiol With tetra-(n-butyl)ammonium iodide; caesium carbonate In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: 1-iodo-propane In N,N-dimethyl-formamide at 0 - 20℃; for 2h;	100%

Benzyl mercaptan Chemical Properties

Product Name: α-Toluenethiol (CAS NO.100-53-8)

Molecular Formula: C₇H₈S
Molecular Weight: 124.2g/mol
Mol File: 100-53-8.mol
Einecs: 202-862-5
Appearance: Colourless liquid with a leek or garlic-like odour
Melting Point: -29 °C
Boiling point: 195.3 °C at 760 mmHg
Flash Point: 70 °C
Density: 1.058 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.575(lit.)
Sensitive: Air Sensitive
Surface Tension: 37.2 dyne/cm
Enthalpy of Vaporization: 41.39 kJ/mol
Vapour Pressure: 0.591 mmHg at 25°C
XLogP3: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 0
Product Categories: Phenol and Thiophenol and Mercaptan; thiol Flavor

Benzyl mercaptan Uses

α-Toluenethiol (CAS NO.100-53-8) can be used as pesticides, pharmaceutical intermediates, it can be used as food flavor.

Benzyl mercaptan Production

α-Toluenethiol (CAS NO.100-53-8) is made by benzyl isothiourea hydrochloride plus alkaline hydrolysis, and then dilute sulfuric acid derived. The S-benzyl-isothiourea hydrochloride and 10% sodium hydroxide solution by adding the reactor, using direct fire heating reflux 2h hydrolysis. And then cooled then diluted sulfuric acid acidification, extracted with diethyl ether, ethyl ether extract dried with anhydrous sodium sulfate, filter out the drying agent, recycling ether, the residue vacuum distillation, collecting the boiling point 98-108 ℃ (2.67kPa), the fraction shall be finished.

Benzyl mercaptan Toxicity Data With Reference

1.	eye-rbt 106 mg	AIHAAP American Industrial Hygiene Association Journal. 19 (1958),171.
2.	orl-rat LD50:493 mg/kg	AIHAAP American Industrial Hygiene Association Journal. 19 (1958),171.
3.	ipr-rat LD50:373 mg/kg	AIHAAP American Industrial Hygiene Association Journal. 19 (1958),171.
4.	ihl-mus LC50:178 ppm/4H	AIHAAP American Industrial Hygiene Association Journal. 19 (1958),171.
5.	ipr-mus LD50:100 mg/kg	NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .

Benzyl mercaptan Consensus Reports

Reported in EPA TSCA Inventory.

Benzyl mercaptan Safety Profile

Poison by inhalation and intraperitoneal routes. Moderately toxic by ingestion. An eye irritant. Questionable carcinogen with experimental tumorigenic data. Flammable when exposed to heat or flame. Can react vigorously with oxidizing materials. To fight fire, use foam, CO₂, dry chemical, water spray, mist, fog. When heated to decomposition and on contact with acid or acid fumes it emits highly toxic fumes of SO_x. See also SULFIDES and MERCAPTANS.
Safety Information of α-Toluenethiol (CAS NO.100-53-8):
Hazard Codes: T,N
Risk Statements: 22-23-50/53
22: Harmful if swallowed
23: Toxic by inhalation
50: Very Toxic to aquatic organisms
53: May cause long-term adverse effects in the aquatic environment
Safety Statements: 23-26-36/37/39-45-61-60
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet

Benzyl mercaptan Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid, Poison (UN 1228); DOT Class: 6.1; Label: Poison, Flammable Liquid (UN 3071)

Benzyl mercaptan Specification

α-Toluenethiol ,its CAS NO. is 100-53-8,the synonyms is a-Toluenethiol ; Benzyl mercaptan ; Benzenemethanethiol ; Fema 2147 ; Alpha-toluenethiol ; Alpha-tolyl mercaptan ; Toluenethiol ; Toluene-a-thiol .

Product Name

Benzyl mercaptan

Synthetic route

Benzyl mercaptan Chemical Properties

Benzyl mercaptan Uses

Benzyl mercaptan Production

Benzyl mercaptan Toxicity Data With Reference

Benzyl mercaptan Consensus Reports

Benzyl mercaptan Safety Profile

Benzyl mercaptan Standards and Recommendations

Benzyl mercaptan Specification

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