1,3-Dimercaptopropane Property

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)

color 

Clear light yellow

Specific Gravity

1.078

Odor

at 0.10 % in propylene glycol. meaty sulfurous

Odor Type

meaty

Water Solubility 

<0.1 g/100 mL at 21 ºC

JECFA Number

535

Merck 

14,7801

BRN 

1071197

Stability:

Stable. Incompatible with oxidizing agents, bases, reducing agents, alkali metals. Store cool.

LogP

1.70

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

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-24/25

RIDADR 

3336

WGK Germany 

3

RTECS 

TZ2585500

F 

13

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

III

HS Code 

29309070

Toxicity

LD50 orally in Rabbit: > 50 - 300 mg/kg

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H226Flammable liquid and vapour

H301Toxic if swalloed

H315Causes skin irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

1,3-Dimercaptopropane Chemical Properties,Usage,Production

Application

Used as a usual flavor.

Toxicity

GRAS(FEMA)

Usage restriction

FEMA：baked goods, meat product, soups, snack foods, sauces, candy and sugar cream: 0.2mg/kg.

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.

Chemical Properties

colourless to slightly yellow liquid

Occurrence

Reported found in cooked or boiled beef.

Uses

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.

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.