ChemicalBook--->CAS DataBase List--->96-24-2

96-24-2

96-24-2 Structure

96-24-2 Structure
IdentificationMore
[Name]

3-Chloro-1,2-propanediol
[CAS]

96-24-2
[Synonyms]

1-CHLORO-2,3-DIHYDROXYPROPANE
1-CHLORO-2,3-PROPANEDIOL
2,3-DIHYDROXYPROPYL CHLORIDE
(+/-)-3-CHLORO-1,2-PROPANEDIOL
3-CHLORO-1,2-PROPANEDIOL
3-CHLOROPROPYLENE GLYCOL
A-CHLOROHYDRIN
ALPHA-CHLOROHYDRIN
ALPHA-CHLOROHYDRINE
ALPHA-GLYCERINCHLOROHYDRIN
ALPHA-GLYCEROL CHLOROHYDRIN
ALPHA-MONOCHLOROHYDRIN
CG
Chlorhydrin
CHLOROPROPANEDIOL
GAM
GLYCERIN-ALPHA-CHLOROHYDRIN
GLYCERINE-ALPHA-MONOCHLOROHYDRIN
GLYCEROL ALPHA-CHLOROHYDRIN
glycerol-alpha-chlorohydrine
[EINECS(EC#)]

202-492-4
[Molecular Formula]

C3H7ClO2
[MDL Number]

MFCD00004712
[Molecular Weight]

110.54
[MOL File]

96-24-2.mol
Chemical PropertiesBack Directory
[Appearance]

Clear pale yellow liquid
[Melting point ]

-40°C
[Boiling point ]

213 °C(lit.)
[density ]

1.322 g/mL at 25 °C(lit.)
[vapor pressure ]

0.04 mm Hg ( 25 °C)
[refractive index ]

n20/D 1.480(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

H2O: soluble
[form ]

Liquid
[pka]

13.28±0.20(Predicted)
[color ]

Clear pale yellow
[Water Solubility ]

Soluble
[FreezingPoint ]

-40℃
[Merck ]

14,2145
[BRN ]

635684
[Henry's Law Constant]

1.6×102 mol/(m3Pa) at 25℃, HSDB (2015)
[Major Application]

cleaning products
cosmetics
food and beverages
personal care
[InChI]

1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
[InChIKey]

SSZWWUDQMAHNAQ-UHFFFAOYSA-N
[SMILES]

OCC(O)CCl
[LogP]

0.5 at 25℃
[CAS DataBase Reference]

96-24-2(CAS DataBase Reference)
[IARC]

2B (Vol. 101) 2013
[NIST Chemistry Reference]

1,2-Propanediol, 3-chloro-(96-24-2)
[EPA Substance Registry System]

96-24-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS05,GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H300-H318-H341-H351-H360F
[Precautionary statements ]

P201-P202-P264-P280-P301+P310-P305+P351+P338
[Hazard Codes ]

T
[Risk Statements ]

R60:May impair fertility.
R21:Harmful in contact with skin.
R23/25:Toxic by inhalation and if swallowed .
R41:Risk of serious damage to eyes.
R39:Danger of very serious irreversible effects.
R36:Irritating to the eyes.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S53:Avoid exposure-obtain special instruction before use .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S39:Wear eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 2689 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

TY4025000
[F ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29055998
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 2 Inhalation
Acute Tox. 3 Oral
Carc. 2
Eye Dam. 1
Met. Corr. 1
Repr. 1B
Skin Irrit. 2
STOT RE 1
STOT SE 1
[Safety Profile]

Poison by ingestion and intraperitoneal routes. Moderately toxic by inhalation. Experimental reproductive effects. A severe eye irritant. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. A chemosterilant for rodents. Combustible when exposed to heat or flame. Reaction with perchloric acid forms a sensitive explosive product more powerful than glyceryl nitrate. When heated to decomposition it emits toxic fumes of Cl-.
[Hazardous Substances Data]

96-24-2(Hazardous Substances Data)
[Toxicity]

LD50 in mice, rats (g/kg): 0.16, 0.15 orally (Hine)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Epichlorohydrin-->Propylene glycol
[Preparation Products]

Dropropizine-->Guaifenesin-->3-Amino-1,2-propanediol-->Doxofylline-->3-Phenoxy-1,2-propanediol-->Glycidyl methyl ether-->Epifluorohydrin-->1-Chloro-3-methoxy-2-propanol-->2,3-Dichloro-1-propanol-->Diprophylline-->(2,3-dihydroxypropyl)trimethylammonium chloride-->(R)-(-)-3-Chloro-1,2-propanediol-->Bisphenol A Bis(2,3-dihydroxypropyl) Ether-->beta-Chlorolactic acid-->2,3-dihydroxypropanesulphonic acid-->iopydol
Hazard InformationBack Directory
[General Description]

A colorless liquid. Denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
[Reactivity Profile]

GLYCEROL ALPHA-MONOCHLOROHYDRIN(96-24-2) is hygroscopic and may be sensitive to prolonged exposure to air. Glycols and their ethers undergo violent decomposition in contact with approximately 70% perchloric acid. .
[Air & Water Reactions]

Soluble in water. Hygroscopic.
[Hazard]

Toxic by ingestion, inhalation.
[Health Hazard]

TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
[Fire Hazard]

Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.
[Chemical Properties]

Clear pale yellow liquid
[Uses]

A metabolite of Dichloropropanols
[Uses]

It is used in the synthesis of glycerol esters,amines, and other derivatives; to lower thefreezing point of dynamite; and as a rodentchemosterilant (Merck 1989).
[Uses]

To lower the freezing point of dynamite; in the manufacture of dye intermediates. As rodent chemosterilant.
[Definition]

ChEBI: A chloropropane-1,2-diol that is propane-1,2-diol substituted by a chloro group at position 3.
[Production Methods]

The industrial synthesis of alpha-chlorohydrin typically involves the hydrolysis of epichlorohydrin in the presence of dilute acid, which opens the epoxide ring to form the chlorinated diol. Alternatively, direct chlorination of glycerol using hydrochloric acid or thionyl chloride can yield the same compound. The process is optimised to minimize by-products like di- and tri-chloropropanols.
[Synthesis Reference(s)]

Organic Syntheses, Coll. Vol. 1, p. 294, 1941
Synthetic Communications, 24, p. 1959, 1994 DOI: 10.1080/00397919408010203
Synthesis, p. 295, 1989
[Flammability and Explosibility]

Nonflammable
[Biological Activity]

3-Chloro-1,2-propanediol is a potent rodent chemosterilant.
[Mechanism of action]

Alpha-chlorohydrin is a toxicant-sterilant in the context of rodenticides. It is used to control rodent populations by rendering male rodents sterile, which prevents them from reproducing.
[Waste Disposal]

Chemical incineration is the most appropriatemethod of disposal.
[Pesticide Type]

Rodenticide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-chloro-1,2-propanediol(96-24-2).msds
Questions And AnswerBack Directory
[Description]

3-Chloro-1, 2-propanediol is unusually formed upon the thermal processing of fat-containing foods1. It is useful in organic synthesis. It is an intermediate for the drug dyphylline; used as a solvent for acetate, etc., and as an intermediate for plasticizers, surfactants, and dyes2; be used as a solvent for preparing a plasticizer, a surfactant, a dye intermediate, a drug, or as a dye intermediate mainly for use as an acetyl fiber or the like. Also used as a plasticizer, surfactant and dye intermediate. In the pharmaceutical industry, it is used in the production of phlegm and phlegm and phlegm-removing guaiac oil ether, antiasthmatic drug theophylline, and hydroxyphylline. It is warned that it is a potential carcinogen and has antifertility activity1,3.
[Sources]

  1. https://en.wikipedia.org/wiki/3-MCPD
  2. https://www.sigmaaldrich.com/catalog/product/aldrich/107271?lang=en&region=US
  3. Gunn, S. A., T. C. Gould, and W. A. Anderson. "Possible mechanism of posttesticular antifertility action of 3-chloro-1, 2-propanediol. " Proceedings of the Society for Experimental Biology & Medicine Society for Experimental Biology & Medicine 132.2(1969): 656.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Chloro-1,2-propanediol(96-24-2)MS
3-Chloro-1,2-propanediol(96-24-2)13CNMR
3-Chloro-1,2-propanediol(96-24-2)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Chloro-1,2-propanediol, 99+%(96-24-2)
[Alfa Aesar]

(+/-)-3-Chloro-1,2-propanediol, 98%(96-24-2)
[Sigma Aldrich]

96-24-2(sigmaaldrich)
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