Basic information
- CAS
3327-22-8- Standard SMILES
C[N+](C)(C)CC(O)CCl.[Cl-]- InChIKey
CSPHGSFZFWKVDL-UHFFFAOYSA-M- Molecular formula
- C6H15ClNO.Cl
- Average molar mass
- 188.09 g/mol
Overview
structure in first source
Names & identifiers
- Preferred name
- (3-Chloro-2-hydroxypropyl)trimethylammonium chloride
- IUPAC
- (3-chloro-2-hydroxypropyl)-trimethylazanium chloride
- English name
- 3-Chloro-2-hydroxypropyltrimethyl ammonium chloride
- Molecular formula
- C6H15Cl2NO
- Molecular weight
- 188.1
Names & synonyms
3327-22-8(3-Chloro-2-hydroxypropyl)trimethylammonium chlorideDextrosil1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chlorideDTXSID30275343-Chloro-2-hydroxypropylammonium chlorideAPK4X6ZD793-Chloro-2-hydroxypropyltrimethylammonium chlorideNSC-51216AMMONIUM, (3-CHLORO-2-HYDROXYPROPYL)TRIMETHYL-, CHLORIDEDTXCID2075341-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)
Show more names
CHPTACquabnt21quat188verolankafdowquat188dextrosilkaQuat 188,69%catiomasterc
CHPTAC cpdRefChem:691063-Cl-2-HP-TACl222-048-33-Chloro-2-hydroxypropyltrimethyl ammonium chlorideDextrosil KA(3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride3-Chloro-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride(65% in water)
Database identifiers
- CAS
3327-22-8- PubChem CID
- 18732
- DTXSID
DTXSID3027534- ChEMBL
CHEMBL1866981- UNII
- APK4X6ZD79
- EC Number
- 222-048-3
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 79.6
Experimental & physicochemical properties
Density1.2 g/cm³
SolubilitySolubility in water: miscible
Food Contact Substances
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical Description
Liquid
COLOURLESS-TO-LIGHT-YELLOW CLEAR ODOURLESS LIQUID.
Physicochemical properties
- Melting point
- 191 · 191-193°C
- Density
- 1.154 g/mL · 1.154 g/mL at 25 °C
- vapor pressure
- 0.001 Pa · 0.001Pa at 20℃
- refractive index
- 20 · n20/D 1.4541
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Methanol (Slightly), Water (Sparingly)
- form
- clear liquid
- color
- Colorless to Light yellow
- PH
- 4.8 to · 4.8 to 6.4(50g/L, 25℃)
- Water Solubility
- 835.2 g/L · 835.2g/L at 20℃
- BRN
- 6576172 · 6576172
- InChI
- InChI=1S/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1
- InChIKey
- CSPHGSFZFWKVDL-UHFFFAOYSA-M
- SMILES
- [N+](C)(CC(O)CCl)(C)C.[Cl-]
- LogP
- -1.5 at · -1.5 at 25℃
- CAS DataBase Reference
- 3327 · 3327-22-8(CAS DataBase Reference)
- Indirect Additives used in Food Contact Substances
- (3-CHLORO-2-HYDROXYPROPYL) TRIMETHYLAMMONIUM CHLORIDE
- FDA 21 CFR
- 176.18 · 176.180
- FDA UNII
- 4 X6ZD79 · APK4X6ZD79
- EPA Substance Registry System
- 3 · 3-Chloro-2-hydroxypropyltrimethyl ammonium chloride (3327-22-8)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 351 · H351-H412
- Precautionary statements
- 202 · P202-P273-P280-P308+P313-P405-P501
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-52/53-40
- Safety Statements
- 26 · 26-36-61-36/37
- RIDADR
- 2811 · 2811
- WGK Germany
- 2 · 2
- RTECS
- 5275400 · BP5275400
- TSCA
- TSCA listed
- HS Code
- 2923.9 · 2923.90.0100
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 3 Carc · Aquatic Chronic 3Carc. 2
- Toxicity
- 500 mg/kg · LDLo subcutaneous in mouse: 500mg/kg
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)
Warning
H351 (99.9%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride
1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25086
1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride: 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-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride: Human health tier II assessment
Fire HazardsNot combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Chemical DangersDecomposes on heating. This produces toxic and flammable vapours.
Hazard Classes and Categories
Carc. 2 (99.9%)
Carcinogenicity - category 2
Carcinogenicity - Category 2
Carc. 2
Safety & protection
Fire FightingIn case of fire in the surroundings, use appropriate extinguishing media. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
Fresh air, rest.
Remove contaminated clothes. Rinse and then wash skin with water and soap.
Rinse with plenty of water for several minutes (remove contact lenses if easily possible).
Rinse mouth.
Safe StorageStore in an area without drain or sewer access.
Spillage Disposal
Personal protection: chemical protection suit including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Eye PreventionWear safety spectacles.
Inhalation RiskEvaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionSee EFFECTS OF LONG-TERM OR REPEATED EXPOSURE. AVOID ALL CONTACT!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse closed system or ventilation.
Effects of Long Term ExposureThis substance is possibly carcinogenic to humans.
Toxicology
Exposure RoutesThe substance can be absorbed into the body in hazardous amounts by inhalation of its aerosol, through the skin and by ingestion.
ICSC Environmental DataThe substance is harmful to aquatic organisms. The substance may cause long-term effects in the aquatic environment. It is strongly advised not to let the chemical enter into the environment.
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- BP5275400
- ridadr
- 2811
- hs_code
- 2923.90.0100
- Toxicity
- LDLo subcutaneous in mouse: 500mg/kg
- risk_code
- 36/37/38-52/53-40
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 26-36-61-36/37
- hazard_class
- 6.1(b)
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H351-H412
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 3Carc. 2
- Precautionary statements
- P202-P273-P280-P308+P313-P405-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 25,000,000 - <40,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIon exchange agent
General Manufacturing Information
Not Known or Reasonably Ascertainable
1-Propanaminium, 3-chloro-2-hydroxy-N,N,N-trimethyl-, chloride (1:1): ACTIVE
Applications
Uses3-Chloro-2-hydroxypropyltrimethyl ammonium chloride is used in the preparation of multifunctional cationized cotton fabric based on TiO2 nanomaterials.
Uses(3-Chloro-2-hydroxypropyl)trimethylammonium chloride solution (CHTAC) can be used:As a cation-generating agent for cellulose cationization by exhaustion method.To resolve 2,2′-dihydroxy-1,1′-binaphthyl enantiomers.To synthesize cationic glycogen (Cat Gly).As a quaternizing agent for quaternization of N-aryl chitosan derivatives.
Upstream & downstream products
Upstream raw materials
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Related reactions
6 records
Compound notes
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