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Home > Encyclopedia > 1,3-Propanedithiol

1,3-Propanedithiol

1,3-Propanedithiol structure

1,3-Propanedithiol 

structure
  • CAS No:

    109-80-8

  • Formula:

    C3H8S2

  • Chemical Name:

    1,3-Propanedithiol

  • Synonyms:

    1,3-Propanedithiol;1,3-Dimercaptopropane;Dithiotrimethyleneglycol;Trimethylenedithioglycol;Trimethylenedithiol;Trimethylene dimercaptan;1,3-Propanedimercaptan;1,3-Trimethylenedithiol;3-Mercaptopropanethiol;1,3-Dithiolpropane;Propan-1,3-dithiol;1,3-Dithiopropanol

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

1,3-Propanedithiol has a sulfur, meaty odor. FEMA indicates that total dithiol added to any food should not exceed 1.0 ppm. colourless to slightly yellow liquidChEBI: A dithiol that is propane substituted by thiol groups at positions 1 ans 3.Clear orange oil with a disagreeable odor.


1,3-dimercaptopropane is a clear orange oil with a disagreeable odor. (NTP, 1992)|Liquid|liquid with odour of sulfur or meat


1,3-dimercaptopropane is a clear orange oil with a disagreeable odor. (NTP, 1992)|Propane-1,3-dithiol is a dithiol that is propane substituted by thiol groups at positions 1 ans 3.

1,3-Propanedithiol Basic Attributes

108.23

108.23

1071197

203-706-9

R4LUJ82U52

3336

DTXSID0059376

29309070

Characteristics

2

1.70

Clear light yellow Liquid

1.0783 g/cm3 @ Temp: 20 °C

-79 °C

172.9 °C

138 °F

n 20/D 1.539(lit.)

H2O: <0.1 g/100 mL at 21 ºC;less than 1 mg/mL at 70° F (NTP, 1992)

2-8°C

5 mm Hg ( 37.7 °C)

>1 (vs air)

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

Highly flammable. Insoluble in water.

Sulfides, Organic

Highly Flammable

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. This compound may react with oxidizers, bases, reducing agents and alkali metals. (NTP, 1992)

Safety Information

III

6.1

3336

3

36/37/38

26-24/25

TZ2585500

Xi

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

P305 + P351 + P338

H315-H319-H335

This chemical is combustible. (NTP, 1992)

|Warning|H302 (19.55%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 143 companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this chemical under freezer conditions, and keep it away from all oxidizing materials. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Drug Information

SYMPTOMS: Symptoms of exposure to this compound include skin, eye, mucous membrane and upper respiratory tract irritation. ACUTE/CHRONIC HAZARDS: This compound emits highly toxic fumes when heated to decomposition. It may cause skin, eye, mucous membrane and upper respiratory tract irritation. (NTP, 1992)

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

1,3-propanedithiol

1,3-Propanedithiol Use and Manufacturing

Uses

Used as a usual flavor.

1,3-Propanedithiol: ACTIVE

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents

Computed Properties

Molecular Weight:108.23
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:108.00674260
Monoisotopic Mass:108.00674260
Topological Polar Surface Area:2
Heavy Atom Count:5
Complexity:12.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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