1,3-Dimercaptopropane

Synonym(s):1,3-Dimercaptopropane;1,3-Propanedithiol;Trimethylene dimercaptan

CAS NO.：109-80-8
Empirical Formula: C3H8S2
Molecular Weight: 108.23
MDL number: MFCD00004904
EINECS: 203-706-9
SAFETY DATA SHEET (SDS)
Update Date: 2024-08-21 22:41:43

What is 1,3-Dimercaptopropane?

Chemical properties

colourless to slightly yellow liquid

Chemical properties

1,3-Propanedithiol has a sulfur, meaty odor. FEMA indicates that total dithiol added to any food should not exceed 1.0 ppm.

Occurrence

Reported found in cooked or boiled beef.

The Uses of 1,3-Dimercaptopropane

1,3-Propanedithiol is used as a reagent in the preparation of thioketals and thioacetals. It acts as a flavoring agent. It is used as a precursor in the synthesis of cyclic dithioacetal (1,3-dithiane) derivatives of carbonyl compounds. It is involved in the preparation of diiron propanedithiolate hexacarbonyl by reacting reaction with triiron dodecacarbonyl. Further, it is used for the protection of aldehydes and ketones through their reversible formation of dithianes. In addition to this, it reacts with metal ions to form chelate rings.

What are the applications of Application

1,3-Propanedithiol is a reagent used for the protection of aldehydes and ketones via their reversible formation of dithianes

Definition

ChEBI: A dithiol that is propane substituted by thiol groups at positions 1 ans 3.

General Description

Clear orange oil with a disagreeable odor.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

Organosulfides, such as 1,3-Dimercaptopropane, are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. 1,3-Dimercaptopropane may react with oxidizers, bases, reducing agents and alkali metals.

Fire Hazard

1,3-Dimercaptopropane is combustible.

Properties of 1,3-Dimercaptopropane

Melting point:	-79 °C (lit.)
Boiling point:	169 °C (lit.)
Density	1.078 g/mL at 25 °C (lit.)
vapor density	>1 (vs air)
vapor pressure	5 mm Hg ( 37.7 °C)
refractive index	n20/D 1.539(lit.)
FEMA	3588 \| 1,3-PROPANEDITHIOL
Flash point:	138 °F
storage temp.	Store below +30°C.
form	Liquid
pka	9.86±0.10(Predicted)
Specific Gravity	1.078
color	Clear light yellow
Odor	at 0.10 % in propylene glycol. meaty sulfurous
Water Solubility	<0.1 g/100 mL at 21 ºC
Merck	14,7801
JECFA Number	535
BRN	1071197
Stability:	Stable. Incompatible with oxidizing agents, bases, reducing agents, alkali metals. Store cool.
CAS DataBase Reference	109-80-8(CAS DataBase Reference)
NIST Chemistry Reference	1,3-Propanedithiol(109-80-8)
EPA Substance Registry System	1,3-Propanedithiol (109-80-8)

Safety information for 1,3-Dimercaptopropane

Signal word	Danger
Pictogram(s)	Flame Flammables GHS02 Skull and Crossbones Acute Toxicity GHS06
GHS Hazard Statements	H226:Flammable liquids H301:Acute toxicity,oral H315:Skin corrosion/irritation
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.