Basic information
- CAS
554-10-9- Standard SMILES
OCC(O)CI- InChIKey
GLJRUXJFSCIQFV-UHFFFAOYSA-N- Molecular formula
- C3H7IO2
- Average molar mass
- 201.99 g/mol
- Monoisotopic mass
- 201.94908
Names & identifiers
- Preferred name
- 3-Iodo-1,2-propanediol
- IUPAC
- 3-iodopropane-1,2-diol
- English name
- 3-iodopropane-1,2-diol
- Molecular formula
- C3H7IO2
- Molecular weight
- 201.99
Names & synonyms
Show more names
Database identifiers
- CAS
554-10-9- PubChem CID
- 92127
- DTXSID
DTXSID4025450- UNII
- 4AX0Q4B27P
- EC Number
- 209-059-9
- Nikkaji
- J1.355B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 32
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 49 · 49-50℃ (chloroform ligroine )
- Boiling point
- 306.3 · 306.3±32.0 °C(Predicted)
- Density
- 2.189 · 2.189±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- Solid
- pka
- 13.28 · 13.28±0.20(Predicted)
- color
- White to Off-White
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 AX0Q4B27P · 4AX0Q4B27P
- EPA Substance Registry System
- 1 · 1,2-Propanediol, 3-iodo- (554-10-9)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Reactivity Profile
A halogenated alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Safety & protection
First Aid
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)
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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 protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store under refrigerated temperatures. (NTP, 1992)
Personal Protective Equipment (PPE)
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)
Regulatory information
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Applications
UsesPharmaceutical compositions containing 3-Iodo-1,2-propanediol are effective in increasing the output of thin respiratory tract fluid and liquefying tenacious mucus in the bronchial tree.
General DescriptionCrystals or light yellow powder.
Suppliers18 total
Related reactions
Compound notes
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