4-tert-Butylbenzenethiol

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Names

[ CAS No. ]:
2396-68-1

[ Name ]:
4-tert-Butylbenzenethiol

[Synonym ]:
4-tert-Butylbenzenethiol
EINECS 219-255-6
4-(2-Methyl-2-propanyl)benzenethiol
4-(1,1-dimethylethyl)benzenethiol
p-tert-Butylphenyl mercaptan
p-tert-Butylbenzenethiol
4-tert-butylphenylthiol
Benzenethiol,p-tert-butyl
Benzenethiol,p-tert-butylthio
4-t-Butylthiophenol
4-tert-Butylthiophenol
4-(1,1-dimethylethyl)thiophenol
4-(tert-butyl)benzenethiol
Benzenethiol, 4-(1,1-dimethylethyl)-
MFCD00022067
4-(tert-butyl)benzene-1-thiol
Benzenethiol,4-(1,1-dimethylethyl)
p-tert-Butylthiophenol

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
230.5±19.0 °C at 760 mmHg

[ Melting Point ]:
-11 °C

[ Molecular Formula ]:
C10H14S

[ Molecular Weight ]:
166.283

[ Flash Point ]:
96.9±8.5 °C

[ Exact Mass ]:
166.081619

[ PSA ]:
38.80000

[ LogP ]:
4.21

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.538

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DC1025000
CHEMICAL NAME :
Benzenethiol, p-tert-butyl-
CAS REGISTRY NUMBER :
2396-68-1
BEILSTEIN REFERENCE NO. :
0606476
LAST UPDATED :
199710
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H14-S
MOLECULAR WEIGHT :
166.30
WISWESSER LINE NOTATION :
SHR DX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00454

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
UN 3334

[ WGK Germany ]:
3

[ RTECS ]:
DC1025000

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thiophenol
  • Isobutylene
  • 4-t-Butylbenzenesulfonyl chloride
  • Hydrophobic-sub benzene disulfide analog
  • 1-Bromo-4-tert-butylbenzene
  • Carbamothioic acid,dimethyl-, S-[4-(1,1-dimethylethyl)phenyl] ester (9CI)
  • N,N-dimethyl-1-(4-tert-butylphenoxy)methanethioamide
  • sodium p-tert-butylphenolate

DownStream

  • 2-Propanone,1-[[4-(1,1-dimethylethyl)phenyl]thio]-
  • 2,3-Dimethyl-2,3-diphenylbutane
  • 4-Tert-butyldiphenyl sulfide
  • 4-tert-Butyl benzyl mercaptan
  • Benzenesulfonothioicacid, 4-(1,1-dimethylethyl)-, S-[4-(1,1-dimethylethyl)phenyl] ester
  • Carbamothioic acid,dimethyl-, S-[4-(1,1-dimethylethyl)phenyl] ester (9CI)
  • 1-tert-butyl-4-[(4-tert-butylphenyl)trisulfanyl]benzene
  • 4-tert-Butyl-1,2-dimercaptobenzene
  • 4-tert-butylbenzenesulfinyl chloride
  • 2-(4-tert-butylphenyl)sulfanylacetonitrile

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • 2-bromo-4-tert-butylbenzenethiol
  • (4-(tert-butyl)-1-chlorocyclohexyl)(phenyl)methanone
  • 4-[tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
  • 4-tert-butyl-6-methoxy-1,2-dihydronaphthalene
  • 4-tert-butyl-2',3'-bis(chloromethyl)biphenyl
  • 4-tert-butoxycyclopent-2-enol
  • tert-butyl N-[2-methyl-1-(sulfamoylamino)propan-2-yl]carbamate
  • tert-butyl N-{4-[1-(hydroxymethyl)-2,2-dimethylcyclopropyl]-2-methylphenyl}carbamate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 7,7-Diethyl-6-oxa-2,10-diazaspiro[4.5]decane
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • Ethyl 3-phenoxyazetidine-3-carboxylate