Basic information
- CAS
123-41-1- Standard SMILES
C[N+](C)(C)CCO.[OH-]- InChIKey
KIZQNNOULOCVDM-UHFFFAOYSA-M- Molecular formula
- C5H15NO2
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.11027872
Names & identifiers
- Preferred name
- Choline, hydroxide
- IUPAC
- 2-hydroxyethyl(trimethyl)azanium hydroxide
- English name
- Choline hydroxide
- Molecular formula
- C5H15NO2
- Molecular weight
- 121.18
Names & synonyms
Show more names
Database identifiers
- CAS
123-41-1- PubChem CID
- 31255
- DTXSID
DTXSID9047467- ChEMBL
CHEMBL3187547- UNII
- 7THJ3EG9SY
- EC Number
- 204-625-1
Properties
Computed structural properties
- Topological polar surface area
- 21.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 46
Experimental & physicochemical properties
Physical Description
Liquid
45% aqueous solution: Brown viscous liquid; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 236 · 236~239℃
- Density
- 1.09 g/mL · 1.09 g/mL at 20 °C
- vapor pressure
- 28.284 hPa · 28.284hPa at 25℃
- refractive index
- 20 · n20/D 1.4304
- Flash point
- 92 °F · 92 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Water (easy), ethanol (difficult to dissolve (1-pentanol)), ether (insoluble)
- form
- Granular Powder
- pka
- 13.9 · 13.9(at 25℃)
- color
- White
- Water Solubility
- miscible
- Merck
- 14 · 14,2204
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- 1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1
- InChIKey
- KIZQNNOULOCVDM-UHFFFAOYSA-M
- SMILES
- [OH-].C[N+](C)(C)CCO
- LogP
- -2.25 at · -2.25 at 25℃
- CAS DataBase Reference
- 123 · 123-41-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 THJ3EG9SY · 7THJ3EG9SY
- EPA Substance Registry System
- 2 · Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (123-41-1)
- UNSPSC Code
- 12352000 · 12352000
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- target organs
- Eyes,Central nervous system
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C,T
- Risk Statements
- 34 · 34-35-43-39/23/24/25-23/24/25-10-R35
- Safety Statements
- 26 · 26-36/37/39-45-S45-S36/37/39-S26
- RIDADR
- 3286 · UN 3286 3/PG 2
- WGK Germany
- 1 · 1
- RTECS
- 4025500 · GA4025500
- F
- 8 · 8-9-23
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29231000 · 29231000
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralCarc. 1BEye Dam. 1Flam. Liq. 3Skin Corr. 1ASTOT SE 1
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (99.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (69%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (20.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (20.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 352 reports by companies from 10 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.
Hazard information
Regulatory Information
Chemical: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (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: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5289
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide: 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.
Toxicology
Regulatory information
Regulatory Information
Chemical: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (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: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5289
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide: 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.
Safety data
- F
- 8-9-23
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- GA4025500
- ridadr
- UN 3286 3/PG 2
- hs_code
- 29231000
- risk_code
- 34-35-43-39/23/24/25-23/24/25-10-R35
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,T
- safety_code
- 26-36/37/39-45-S45-S36/37/39-S26
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Eyes,Central nervous system
- Hazard statements
- H314
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralCarc. 1BEye Dam. 1Flam. Liq. 3Skin Corr. 1ASTOT SE 1
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Endogenous factors or drugs that increase the transport and metabolism of LIPIDS including the synthesis of LIPOPROTEINS by the LIVER and their uptake by extrahepatic tissues.
Drugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms.
Uses & manufacturing
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing;Computer and Electronic Product Manufacturing;All Other Chemical Product and Preparation Manufacturing;All Other Basic Organic Chemical Manufacturing;Other (requires additional information)
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1): ACTIVE
Applications
DescriptionCholine hydroxide or choline base is also known as 2-hydroxyl ethyl trimethyl ammonium hydroxide. It is a strong yet organic base. Choline hydroxide is primarily used to produce other choline salts, which could be used in nutraceuticals, baby food, etc. Choline hydroxide can be used as phase transfer catalysts which carry the hydroxide ion into organic systems. It is used as an ingredient in cleaning and developer formulations in the electronics and printed circuit board industry and in paint stripping formulations. It can also be used as corrosion inhibitor, for the H2S removal from gas streams. Furthermore, it is used as the cleaning and degreasing agent in the metal industry.
UsesCholine hydroxide is used as a precursor molecule for the neurotransmitter acetylcholine, it is involved in several functions including muscle and memory muscle control. It was used as a basic catalyst for aldol condensation reactions.
UsesCholine hydroxide solution has been used in the synthesis of choline hexafluoroacetylacetonate that can be used as an extractant along with bis-(trifluoromethylsulfonyl)imide ionic liquid for the homogeneous liquid-liquid extraction of neodymium(III).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Additional notes
DefinitionAn amino alcohol,CH2OHCH2N(CH3)3OH. It occurswidely in living organisms as aconstituent of certain types ofphospholipids– the lecithins andsphingomyelins– and in the neurotransmitteracetylcholine. It issometimes classified as a memberof the vitamin B complex.
Related reactions
Compound notes
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