ChemicalBook Product Catalog Flavors and fragrances Synthetic fragrances Thiols spices 1,3-Dimercaptopropane

1,3-Dimercaptopropane

Product Name1,3-Dimercaptopropane
CAS109-80-8
MFC3H8S2
MW108.23
EINECS203-706-9
MOL File109-80-8.mol

Chemical Properties

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
biological source	synthetic
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.
Major Application	flavors and fragrances
InChI	1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
InChIKey	ZJLMKPKYJBQJNH-UHFFFAOYSA-N
SMILES	SCCCS
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 Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-24/25
RIDADR	3336
WGK Germany	3
RTECS	TZ2585500
F	13
TSCA	TSCA listed
HazardClass	6.1
PackingGroup	III
HS Code	29309070
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 3 Oral Flam. Liq. 3 Skin Irrit. 2
Toxicity	LD50 orally in Rabbit: > 50 - 300 mg/kg

MSDS

Provider	Language
1,3-Dimercaptopropane	English
SigmaAldrich	English
ACROS	English
ALFA	English

Usage And Synthesis

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.