(2,2-dimethyl-1,3-dithiolan-4-yl)methanol

Names

[ CAS No. ]:
5694-47-3

[ Name ]:
(2,2-dimethyl-1,3-dithiolan-4-yl)methanol

[Synonym ]:
2,2-Dimethyl-4-hydroxymethyl-1,3-dithiolane
2,2-Dimethyl-1,3-dithiolane-4-methanol
2,2-dimethyl-4-hydroxymethyl-1,3-dithiolan
1,3-DITHIOLANE-4-METHANOL,2,2-DIMETHYL

Chemical & Physical Properties

[ Density]:
1.135g/cm3

[ Boiling Point ]:
257.8ºC at 760 mmHg

[ Molecular Formula ]:
C6H12OS2

[ Molecular Weight ]:
164.28900

[ Flash Point ]:
125.9ºC

[ Exact Mass ]:
164.03300

[ PSA ]:
70.83000

[ LogP ]:
1.56340

[ Index of Refraction ]:
1.544

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JP1155000
CHEMICAL NAME :
1,3-Dithiolane-4-methanol, 2,2-dimethyl-
CAS REGISTRY NUMBER :
5694-47-3
BEILSTEIN REFERENCE NO. :
0104513
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H12-O-S2
MOLECULAR WEIGHT :
164.30
WISWESSER LINE NOTATION :
T5S CSTJ B1 B1 D1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 17,235,1982

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • dimercaprol
  • 2,2-Dimethoxypropane
  • Acetone

DownStream

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • (2,2-dimethyl-1,3-dithiolan-4-yl)methyl benzoate
  • (2,2-Dimethyl-1,3-dioxolan-4-yl)methanol
  • (2,2-dimethyl-1,3-dioxolan-4-yl)methanol,3,5-dinitrobenzoic acid
  • (2,2-dimethyl-[1,3]dioxolan-4-yl)-methanol, sodium salt
  • (2,2-dimethyl-1,3-dihydroisoindol-2-ium-4-yl)methanol,chloride
  • [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol,4-nitrobenzoic acid
  • Rogaratinib dihydrochloride
  • 1-methyl-3-pentyl-4-propyl-1H-pyrazol-5-amine
  • 3-cyclohexyl-4-propyl-1H-pyrazol-5-amine
  • 6-[4-(2-Fluorophenyl)-1-piperazinyl]-4-methyl-3-pyridinamine
  • 4-(3-Nitrobenzyl)piperidine hydrochloride
  • 3-[[3-(Trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
  • 3-(4-Nitrophenyl)Pyrrolidine Hydrochloride
  • 3-(Piperidin-4-ylmethyl)aniline dihydrochloride
  • 3-oxo-5-(trifluoromethyl)-4H-quinoxaline-2-carboxylic acid
  • 5-[2-(2-methylpiperazin-1-yl)ethyl]-3H-2-benzofuran-1-one
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