Choline Chloride

• CAS No.: 67-48-1
• Color: White
• Appearance: Powder
• Transport Package: Paper
• Specification: large
• Trademark: china
• Model NO.: E1422
• Origin: China
• HS Code: 2930400000
• Production Capacity: 5000kg/Year

Product Description

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxyethyl(trimethyl)azanium;chloride

Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)

PubChem

2.1.2 InChI

InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1

Computed by InChI 1.0.6 (PubChem release 2021.10.14)

PubChem

2.1.3 InChIKey

SGMZJAMFUVOLNK-UHFFFAOYSA-M

Computed by InChI 1.0.6 (PubChem release 2021.10.14)

PubChem

2.1.4 Canonical SMILES

C[N+](C)(C)CCO.[Cl-]

Computed by OEChem 2.3.0 (PubChem release 2021.10.14)

PubChem

2.2 Molecular Formula

C₅H₁₄NO.Cl

CAMEO Chemicals

C₅H₁₄NO.Cl

ILO-WHO International Chemical Safety Cards (ICSCs)

C₅H₁₄ClNO

Computed by PubChem 2.2 (PubChem release 2021.10.14)

PubChem

2.3 Other Identifiers

2.3.1 CAS

67-48-1

CAMEO Chemicals; CAS Common Chemistry; ChemIDplus; DTP/NCI; EPA Chemicals under the TSCA; EPA DSSTox; European Chemicals Agency (ECHA); FDA Global Substance Registration System (GSRS); Hazardous Substances Data Bank (HSDB); ILO-WHO International Chemical Safety Cards (ICSCs); New Zealand Environmental Protection Authority (EPA)

2.3.2 Related CAS

62-49-7 (Parent)

ChemIDplus

2.3.3 Deprecated CAS

1643859-93-1, 2028303-08-2

ChemIDplus

2.3.4 European Community (EC) Number

200-655-4

European Chemicals Agency (ECHA)

2.3.5 UNII

45I14D8O27

FDA Global Substance Registration System (GSRS)

2.3.6 ChEMBL ID

CHEMBL282468

ChEMBL

2.3.7 DSSTox Substance ID

DTXSID4020325

EPA DSSTox

2.3.8 FEMA Number

4500

Flavor and Extract Manufacturers Association (FEMA); Joint FAO/WHO Expert Committee on Food Additives (JECFA)

2.3.9 ICSC Number

0853

ILO-WHO International Chemical Safety Cards (ICSCs)

2.3.10 JECFA Number

2003

Joint FAO/WHO Expert Committee on Food Additives (JECFA)

2.3.11 NCI Thesaurus Code

C76835

NCI Thesaurus (NCIt)

2.3.12 NSC Number

758473

DTP/NCI

402838

DTP/NCI

2.3.13 RXCUI

1425426

NLM RxNorm Terminology

2.3.14 Wikidata

Q2964153

Wikidata

2.3.15 Wikipedia

Choline_chloride

Wikipedia

2.4 Synonyms

2.4.1 MeSH Entry Terms

• 2-Hydroxy-N,N,N-trimethylethanaminium
• Bitartrate, Choline
• Bursine
• Chloride, Choline
• Choline
• Choline Bitartrate
• Choline Chloride
• Choline Citrate
• Choline Hydroxide
• Choline O Sulfate
• Choline O-Sulfate
• Citrate, Choline
• Fagine
• Hydroxide, Choline
• O-Sulfate, Choline
• Vidine

Medical Subject Headings (MeSH)

2.4.2 Depositor-Supplied Synonyms

• CHOLINE CHLORIDE
• 67-48-1
• Hepacholine
• Lipotril
• Paresan
• 2-Hydroxy-N,N,N-trimethylethanaminium chloride
• Biocolina
• Biocoline
• Hormocline
• (2-Hydroxyethyl)trimethylammonium chloride
• Luridin chloride
• Choline hydrochloride
• Neocolina
• Bilineurin chloride
• Cholinium chloride
• Choline, chloride
• Chloride de choline
• Choline chlorhydrate
• Cholini chloridum
• CHOLINE (CL)
• Colina cloruro
• 2-Hydroxyethyl(trimethyl)azanium;chloride
• Choline chloride [INN]
• Cloruro de colina
• Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride
• Chlorure de choline
• Choline (chloride)
• Trimethyl(2-hydroxyethyl)ammonium chloride
• CCRIS 3716
• HSDB 984
• (beta-Hydroxyethyl)trimethylammonium chloride
• EINECS 200-655-4
• NSC 402838
• NSC-402838
• 2-Hydroxy-N,N,N,-trimethylethanaminium chloride
• (2-hydroxyethyl)trimethylazanium chloride
• CHOLINE-D13 CHLORIDE
• DTXSID4020325
• FEMA NO. 4500
• UNII-45I14D8O27
• AI3-18302
• Cloruro de colina [INN-Spanish]
• CHEBI:133341
• Chlorure de choline [INN-French]
• Ammonium, (2-hydroxyethyl)trimethyl-, chloride
• MFCD00011721
• 45I14D8O27
• DTXCID20325
• CHEMBL282468
• Cholinechloride
• EC 200-655-4
• 352438-97-2
• 2-Hydroxy-N,N,N-trimethylethanaminium chloride (1:1)
• CHOLINE CHLORIDE (MART.)
• CHOLINE CHLORIDE [MART.]
• Cloruro de colina (INN-Spanish)
• CHOLINE CHLORIDE (USP-RS)
• CHOLINE CHLORIDE [USP-RS]
• Chlorure de choline (INN-French)
• Colina cloruro [DCIT]
• Chloride de choline [French]
• CHOLINE CHLORIDE (TRIMETHYL-D9)
• Cholini chloridum [INN-Latin]
• NSC402838
• SR-01000075745
• 2-hydroxyethyl(trimethyl)azanium chloride
• cholinii chloridum
• Chloride, Choline
• cholinium chloratum
• Choline Chloride,(S)
• 2-hydroxyethyl(trimethyl)ammonium chloride
• SCHEMBL14957
• CHOLINE CHLORIDE [MI]
• SPECTRUM1503428
• CHOLINE CHLORIDE [FCC]
• CHOLINE CHLORIDE [HSDB]
• CHOLINE CHLORIDE [INCI]
• CHOLINE CHLORIDE [VANDF]
• HMS500F09
• CHOLINE CHLORIDE [WHO-DD]
• SGMZJAMFUVOLNK-UHFFFAOYSA-M
• HMS1922E20
• HMS2093G05
• HMS3652D05
• HMS3885F09
• Pharmakon1600-01503428
• AMY13898
• Choline chloride [HOEtN1,1,1]Cl
• HY-B1337
• Tox21_200492
• CCG-39465
• NSC758473
• s4171
• AKOS015903458
• CS-4855
• FS-3795
• NSC-758473
• CAS-67-48-1
• WLN: Q2K1&1&1 &Q &G
• NCGC00095059-01
• NCGC00095059-02
• NCGC00258046-01
• (2-hydroxyethyl)trimethyl ammonium chloride
• FT-0612603
• FT-0665025
• NS00076292
• SW219165-1
• (2-H2-Hydroxyethyl)trimethylammonium chloride
• (.beta.-Hydroxyethyl)trimethylammonium chloride
• D70213
• EN300-102823
• AB01568267_01
• 2-Hydroxy-N,N,N-trimethylethan-1-aminium chloride
• A835769
• Q2964153
• SR-01000075745-3
• SR-01000075745-5
• 1CDEFBD7-7905-4D2C-BEA8-44A54D9787D3
• F8889-3032
• Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, chloride (1:1)

PubChem

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name

Property Value

Reference

Molecular Weight

139.62 g/mol

Computed by PubChem 2.2 (PubChem release 2021.10.14)

Hydrogen Bond Donor Count

1

Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)

Hydrogen Bond Acceptor Count

2

Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)

Rotatable Bond Count

2

Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)

Exact Mass

139.0763918 g/mol

Computed by PubChem 2.2 (PubChem release 2021.10.14)

Monoisotopic Mass

139.0763918 g/mol

Computed by PubChem 2.2 (PubChem release 2021.10.14)

Topological Polar Surface Area

20.

Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)

Heavy Atom Count

8

Computed by PubChem

 

0

Computed by PubChem

Complexity

46.5

Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)

Isotope Atom Count

0

Computed by PubChem

Defined Atom Stereocenter Count

0

Computed by PubChem

Undefined Atom Stereocenter Count

0

Computed by PubChem

Defined Bond Stereocenter Count

0

Computed by PubChem

Undefined Bond Stereocenter Count

0

Computed by PubChem

Covalently-Bonded Unit Count

2

Computed by PubChem

Compound Is Canonicalized

Yes

Computed by PubChem (release 2021.10.14)

PubChem

3.2 Experimental Properties

3.2.1 Physical Description

Choline chloride appears as white crystals. Practically neutral aqueous solution. (NTP, 1992)

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina: NTP.

CAMEO Chemicals

Dry Powder; Liquid

EPA Chemicals under the TSCA

WHITE HYGROSCOPIC CRYSTALS.

ILO-WHO International Chemical Safety Cards (ICSCs)

Colourless or white crystals, also in the form of white crystalline solid

Joint FAO/WHO Expert Committee on Food Additives (JECFA)

3.2.2 Color / Form

WHITE CRYSTALS

Osol, A. and J.E. Hoover, et al. (eds.). Remington's Pharmaceutical Sciences. 15th ed. Easton, Pennsylvania: Mack Publishing Co., 1975., p. 962

Hazardous Substances Data Bank (HSDB)

Deliquescent crystals

O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 366

Hazardous Substances Data Bank (HSDB)

3.2.3 Melting Point

577 to 581 °F (Decomposes) (NTP, 1992)

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina: NTP.

CAMEO Chemicals

305 °C (decomposes)

Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V3: 2594

Hazardous Substances Data Bank (HSDB)

305 °C

ILO-WHO International Chemical Safety Cards (ICSCs)

3.2.4 Solubility

Very soluble (NTP, 1992)

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina: NTP.

CAMEO Chemicals

Very sol in water and alcohol

O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 366

Hazardous Substances Data Bank (HSDB)

Solubility in water: miscible

ILO-WHO International Chemical Safety Cards (ICSCs)

Soluble in water

Joint FAO/WHO Expert Committee on Food Additives (JECFA)

Soluble (in ethanol)

Joint FAO/WHO Expert Committee on Food Additives (JECFA)