1,3-Propanedithiol

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Names

[ CAS No. ]:
109-80-8

[ Name ]:
1,3-Propanedithiol

[Synonym ]:
1,3-Propanedithiol
propane-1,3-dithiol
1,3-Dimercaptopropane
Trimethylene Dithiol
MFCD00004904
EINECS 203-706-9

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
170.4±13.0 °C at 760 mmHg

[ Melting Point ]:
−79 °C(lit.)

[ Molecular Formula ]:
C3H8S2

[ Molecular Weight ]:
108.226

[ Flash Point ]:
58.9±0.0 °C

[ Exact Mass ]:
108.006737

[ PSA ]:
77.60000

[ LogP ]:
1.70

[ Vapour density ]:
>1 (vs air)

[ Vapour Pressure ]:
2.0±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.510

[ Storage condition ]:
2-8°C

[ Stability ]:
Stable. Incompatible with oxidizing agents, bases, reducing agents, alkali metals. Store cool.

[ Water Solubility ]:
<0.1 g/100 mL at 21 ºC

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ2585500
CHEMICAL NAME :
1,3-Propanedithiol
CAS REGISTRY NUMBER :
109-80-8
BEILSTEIN REFERENCE NO. :
1071197
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C3-H8-S2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1070 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 14,111,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
28 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 87(Suppl),6,1946

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
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

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S24/25

[ RIDADR ]:
3336

[ WGK Germany ]:
3

[ RTECS ]:
TZ2585500

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29309070

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-methyl-2-(2-phenylethenyl)-1,3-dithiane
  • 5-(1,3-dithian-2-yl)-1,3-benzodioxole
  • 1,3-Dibromopropane
  • 1,2-dithiolane
  • 1,3-Dithiane,2-[(1E)-2-phenylethenyl]-
  • 1,3-Propanediol
  • (2R*,3R*)-α-[2-(3,5-dimethoxyphenyl)-m-dithian-2-yl]-3-methyl-1,4-dioxaspiro[4.5]decane-2-methanol
  • 5,5'-(1,3-propanediyl)bis[isothiouronium bromide]

DownStream

  • 1,5-dithiocan-3-ol
  • 1,5,9,13-tetrathiacyclohexadecane-3,11-diol
  • Naphthalene
  • 1-naphthalen-1-ylsulfanylnaphthalene
  • 1-(3-naphthalen-1-ylsulfanylpropylsulfanyl)naphthalene
  • 4-(1,3-dithian-2-ylidene)pentan-1-ol
  • 5-(1,3-dithian-2-yl)-2-methoxyphenol
  • 2-(4-chlorophenyl)-1,3-dithiane
  • 2-[4-(1,3-dithian-2-yl)butoxy]oxane
  • 3-(1,3-dithian-2-yl)-4-methoxy-6-methylpyran-2-one

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

  • S-Benzoyl-1,3-propanedithiol
  • 2-methylene-1,3-propanedithiol
  • 2,2-Dimethyl-1,3-propanedithiol
  • 1,3-Propanedithiol diethyl ether
  • 1,3-Propanedithiol dimethyl ether
  • 1,3-Propanedithiol dimethyl ether