2,4,4-trimethylpentane-2-thiol

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Names

[ CAS No. ]:
141-59-3

[ Name ]:
2,4,4-trimethylpentane-2-thiol

[Synonym ]:
MFCD00014450
2-Pentanethiol,2,4,4-trimethyl
terc. Oktanthiol [Czech]
T-OCTYL MERCAPTAN
isooctanethiol
tert-Octanethiol
2,4,4-Trimethyl-2-pentanethiol
tert-Octyl mercaptan
tert-octylthiol
2,4,4-Trimethyl-pentan-2-thiol
1,1,3,3-tetramethylbutyl mercaptan
EINECS 205-490-1
2,4,4-trimethyl-pentane-2-thiol

Chemical & Physical Properties

[ Density]:
0.837g/cm3

[ Boiling Point ]:
150.2ºC at 760mmHg

[ Melting Point ]:
-74.15°C

[ Molecular Formula ]:
C8H18S

[ Molecular Weight ]:
146.29400

[ Flash Point ]:
34.6ºC

[ Exact Mass ]:
146.11300

[ PSA ]:
38.80000

[ LogP ]:
3.13100

[ Vapour Pressure ]:
4.95mmHg at 25°C

[ Index of Refraction ]:
1.449

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA3260000
CHEMICAL NAME :
2-Pentanethiol, 2,4,4-trimethyl-
CAS REGISTRY NUMBER :
141-59-3
BEILSTEIN REFERENCE NO. :
1732867
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H18-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
17800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,984,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
60300 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,984,1986

Safety Information

[ RIDADR ]:
UN 3023

[ Packaging Group ]:
I

[ Hazard Class ]:
6.1(a)

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,2,4-trimethyl-3-pentene
  • Pentane,2,2,4-trimethyl-4-nitro-
  • 2,4,4-Trimethylpent-1-ene

DownStream

  • Bis(2,4,4-trimethylpentan-2-yl) disulfide

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-chloro-2,4,4-trimethylpentane
  • 2-azido-2,4,4-trimethylpentane
  • 2,2'-Azobis(2,4,4-trimethylpentane)
  • 2-((2,2-dimethyl-1-(1-naphthyl)propylidene)amino)-2,4,4-trimethylpentane
  • 2,4,4-Trimethylpentane-1,3-diol
  • 2,4,4,6,6-pentamethylheptane-2-thiol