2-Chlor-1-propanol

Propylene Chlorohydrin

HCID 6566CAS 19210-21-0

Grundinformationen

Standard-SMILES
CC(Cl)CO
InChIKey
VZIQXGLTRZLBEX-UHFFFAOYSA-N
Summenformel
C3H7ClO
Durchschnittliche Molmasse
94,54 g/mol
Monoisotopische Masse
94,0185425

Namen und Bezeichner

Bevorzugter Name
Propylene Chlorohydrin
IUPAC
2-chloropropan-1-ol
Lokaler Name
2-Chlor-1-propanol
Englischer Name
2-Chloro-1-propanol
Summenformel
C3H7ClO
Molmasse
94.54

Namen und Synonyme

2-Chloropropan-1-ol2-CHLORO-1-PROPANOL78-89-72-Chloropropanol1-Propanol, 2-chloro-Propylene chlorohydrinPropylenechlorohydrin2-Chloropropyl alcohol1-Hydroxy-2-chloropropanebeta-Chloropropyl alcoholNSC-122672DTXSID5052541
Weitere Namen anzeigen
MONOCHLOROPROPANOLVPM-4GNsc1226722-Chloro-1-propan2-chloro-1-propanoPROPYLENECHLORHYDRIN
W3398732C7BETA-PROPYLENE CHLOROHYDRINRefChem:468519DTXCID2031114201-154-3.beta.-Chloropropyl alcoholVerapamil Impurity 212-chloro-propan-1-ol

Datenbank-Bezeichner

CAS
19210-21-0、28064-81-5、78-89-7
PubChem CID
6566
DTXSID
DTXSID5052541
UNII
W3398732C7
EC Number
201-154-3
Nikkaji
J4.224B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,6
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
5

Experimentelle und physikochemische Eigenschaften

OdorPLEASANT ODOR
Density · 2 Einträge

1.1 (NTP, 1992) - Denser than water; will sink

1.103 @ 20 °C

Color/FormCOLORLESS LIQUID
Solubility · 3 Einträge

Soluble (NTP, 1992)

SOL IN WATER, ALCOHOL

SOL IN ETHER, ETHANOL

Flash Point · 3 Einträge

125 °F (NTP, 1992)

51.6 °C

125 °F (52 °C) (CLOSED CUP)

Boiling Point · 3 Einträge

271 to 273 °F at 760 mmHg (NTP, 1992)

133-134 °C

133.50 °C. @ 760.00 mm Hg

Physikochemische Eigenschaften

Schmelzpunkt
25 °C · <25 °C
Siedepunkt
133 · bp 133-134°
Dichte
20 · d20 1.103
Brechungsindex
20 · nD20 1.4362
storage temp.
Refrigerator
Löslichkeit
Chloroform (Slightly), Methanol (Sparingly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1-Propanol, 2-chloro-

1-Propanol, 2-chloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - 1-Propanol, 2-chloro-: Human health tier I assessment
DOT Label · 2 Einträge

Poison Flammable Liquid

Poison Flammable Liquid

Fire Hazards · 3 Einträge

This compound is flammable. (NTP, 1992)

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. CAUTION: Methanol (UN1230) will burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.) Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion and poison hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024)

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.;CAUTION: Methanol (UN1230) will burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.);· Vapors may form explosive mixtures with air.;· Vapors may travel to source of ignition and flash back.;· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).;· Vapor explosion and poison hazard indoors, outdoors or in sewers.;· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.;· Runoff to sewer may create fire or explosion hazard.;· Containers may explode when heated.;· Many liquids will float on water.

Health Hazards · 3 Einträge

SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes, or lungs. It is a severe eye irritant. It may cause destruction of red blood cells (hemolysis).;ACUTE/CHRONIC HAZARDS: This chemical is a poison by ingestion. It is moderately toxic by inhalation and skin contact. It is a skin irritant and a severe eye irritant. When heated to decomposition it emits toxic fumes of chlorine. (NTP, 1992)

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Methyl chloroacetate (UN2295) is an eye irritant/lachrymator (causes flow of tears). Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)

· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.;· Inhalation or contact with some of these materials will irritate or burn skin and eyes.;· Methyl chloroacetate (UN2295) is an eye irritant/lachrymator (causes flow of tears).;· Fire will produce irritating, corrosive and/or toxic gases.;· Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas.;· Runoff from fire control or dilution water may cause environmental contamination.

Hazards Summary · 1 Eintrag

External application to rabbit eyes scored 8 on a scale of 1-10 (10 being most severe) for degree of injury after 24 hours; Rats exposed 15 times to six hours of inhalation at 250 ppm displayed lung congestion and perivascular edema; Decreased body weights and histopathology in the acinar cells of the pancreas were the only observations in high-dose animal feeding studies; [HSDB] General anesthetic effect in lethal-dose feeding studies of guinea pigs; [RTECS] A skin and severe eye irritant; May cause hemolysis; [CAMEO] See 1-Chloro-2-propanol.

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

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

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: Methanol (UN1230) will burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.).;SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam.;LARGE FIRE: Water spray, fog or alcohol-resistant foam. If it can be done safely, move undamaged containers away from the area around the fire. Dike runoff from fire control for later disposal. Avoid aiming straight or solid streams directly onto the product.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.;· Keep unauthorized personnel away.;· Stay upwind, uphill and/or upstream.;· Ventilate closed spaces before entering, but only if properly trained and equipped.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.;· All equipment used when handling the product must be grounded.;· Do not touch or walk through spilled material.;· Stop leak if you can do it without risk.;· Prevent entry into waterways, sewers, basements or confined areas.;· A vapor-suppressing foam may be used to reduce vapors.;Small Spill;· Absorb with earth, sand or other non-combustible material and transfer to containers for later disposal.;· Use clean, non-sparking tools to collect absorbed material.;Large Spill;· Dike far ahead of liquid spill for later disposal.;· Water spray may reduce vapor, but may not prevent ignition in closed spaces.

First Aid · 3 Einträge

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)

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;Refer to the "General First Aid" section. Specific First Aid: Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. (ERG, 2024)

General First Aid:;· Call 911 or emergency medical service.;· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.;· Move victim to fresh air if it can be done safely.;· Administer oxygen if breathing is difficult.;· If victim is not breathing:;-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.;-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).;-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.;· Remove and isolate contaminated clothing and shoes.;· For minor skin contact, avoid spreading material on unaffected skin.;· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.;· For severe burns, immediate medical attention is required.;· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.;· Keep victim calm and warm.;· Keep victim under observation.;· For further assistance, contact your local Poison Control Center.;· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.;Specific First Aid:;· Wash skin with soap and water.

Exposure Control and Personal Protection · 1 Eintrag

· Wear positive pressure self-contained breathing apparatus (SCBA).;· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.;· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.

Fire Fighting Procedures · 2 Einträge

"ALCOHOL" FOAM

To fight fire, use alcohol foam, CO2, dry chemical.

Nonfire Spill Response · 2 Einträge

SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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 material from exposure to light, and store it in a refrigerator. (NTP, 1992)

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors.;SMALL SPILL: Absorb with earth, sand or other non-combustible material and transfer to containers for later disposal. Use clean, non-sparking tools to collect absorbed material.;LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 2(SRC), determined from a structure estimation method(2), indicates that 2-chloro-1-propanol is expected to have very high mobility in soil(SRC). Volatilization of 2-chloro-1-propanol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.7X10-6 atm-cu m/mole(SRC), obtained using a fragment constant estimation method(3). 2-Chloro-1-propanol may volatilize from dry soil surfaces(SRC) based upon an experimental vapor pressure of 5.25 mm Hg(4). The importance of biodegradation in soil is unknown.

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 2(SRC), determined from a structure estimation method(2), indicates that 2-chloro-1-propanol is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is not expected to be important(3) based upon an estimated Henry's Law constant of 1.7X10-6 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). The importance of biodegradation in water is unknown. According to a classification scheme(5), an estimated BCF of 3(3,SRC), from an estimated log Kow(6,SRC), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 2-Chloro-1-propanol may slowly hydrolyze with a half-life of approximately 140 days at pH 8(7).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-chloro-1-propanol, which has an experimental vapor pressure of 5.25 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-chloro-1-propanol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 7 days(SRC) from its estimated rate constant of 2.27X10-12 atm cu m/mol(3).

Adverse EffectsNeurotoxin - Acute solvent syndrome;ACGIH Carcinogen - Not Classifiable.
Soil Adsorption/Mobility · 1 Eintrag

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 2-chloro-1-propanol can be estimated to be about 2(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-chloro-1-propanol is expected to have very high mobility in soil.

Artificial Pollution Sources2-Chloro-1-propanol's production and use in the preparation of propylene oxide(1) may result in its release to the environment through various waste streams(SRC).
Environmental Bioconcentration · 1 Eintrag

An estimated BCF of 3 was calculated for 2-chloro-1-propanol(SRC), using an estimated log Kow of 0.53(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low.

Volatilization from Water/Soil · 1 Eintrag

The Henry's Law constant for 2-chloro-1-propanol is estimated as 1.7X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2-chloro-1-propanol is expected to be essentially nonvolatile(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 210 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 1500 days(SRC). 2-Chloro-1-propanol's Henry's Law constant(1) indicates that volatilization from moist soil surfaces is not expected to occur(SRC). 2-Chloro-1-propanol may volatilize from dry soil surfaces(SRC) based upon an experimental vapor pressure of 5.25 mm Hg(3).

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: 1-Propanol, 2-chloro-

1-Propanol, 2-chloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Sicherheitsdaten

tsca
TSCA listed
ridadr
UN 2611
Toxizität
LD50 orally in rats: 0.22 ml/kg; by skin penetration in rabbits: 0.48 ml/kg, Smyth et al., Am. Ind. Hyg. Assoc. J. 30, 470 (1969)
hazard_class
6.1
packing_group
II
Giftige Stoffe Daten
78-89-7(Hazardous Substances Data)

Chemie und Industrie

Pharmakologische Informationen

Absorption, Distribution and ExcretionPropylene chlorohydrin is absorbed, widely distributed, and rapidly metabolized and eliminated.
Cellular LocationsCytoplasm;Extracellular

Verwendung und Herstellung

Uses · 2 Einträge

Used in organic synthesis; [Hawley] Used to make propylene oxide; [HSDB] Produced as residue on foods when fumigated with propylene oxide; [WHO] A constituent of technical grade 1-chloro-2-propanol at 25%; [ACGIH]

IN PREPN OF PROPYLENE OXIDE

General Manufacturing Information1-Propanol, 2-chloro-: ACTIVE

Anwendungen

VerwendenIn preparation of propylene oxide, q.v.

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