CAS 56375-79-2 Tributylmethylammonium chloride (HCID 91822)

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Basic information

CAS: 56375-79-2
Standard SMILES: CCCC[N+](C)(CCCC)CCCC.[Cl-]
InChIKey: IPILPUZVTYHGIL-UHFFFAOYSA-M
Molecular formula: C13H30N.Cl
Average molar mass: 235.84 g/mol

Names & identifiers

Preferred name: Tributylmethylammonium chloride
IUPAC: tributyl(methyl)azanium chloride
English name: Methyl tributyl ammonium chloride
Molecular formula: C13H30ClN
Molecular weight: 235.84

Names & synonyms

56375-79-2Tributylmethylammonium chloriden,n-dibutyl-n-methylbutan-1-aminium chlorideMethyltributylammonium chlorideUNII-AZ0B34ME3UDTXSID5044443AZ0B34ME3UEINECS 260-135-81-Butanaminium, N,N-dibutyl-N-methyl-, chloride (1:1)EC 260-135-8DTXCID3024443RefChem:190917

Show more names

ALIQUAT 175mtbactributylmethylammonium chloride solution[P3C1N]ClSeeR533110Alkquat 175ALIQUAT(R) 175

260-135-8methyl tributyl ammonium chloride1-Butanaminium, N,N-dibutyl-N-methyl-, chlorideC13H30ClNtributyl(methyl)azanium;chloridetri-n-Butylmethylammonium chlorideMFCD00011847NCGC00255710-01

Database identifiers

CAS: 56375-79-2
PubChem CID: 91822
DTXSID: DTXSID5044443
ChEMBL: CHEMBL3181897
UNII: AZ0B34ME3U
EC Number: 260-135-8

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 9
Heavy atoms: 15
Formal charge: 0
Complexity: 98.6

Experimental & physicochemical properties

Physical DescriptionDry Powder; Liquid

Physicochemical properties

Melting point: 95 · 95-99 °C
Boiling point: 84 · 84-85°C 101mm
Density: 0 · 0,964 g/cm3
vapor pressure: 7.9 mmHg · 7.9 mmHg ( 25 °C)
refractive index: 20 · n20/D 1.4682
Flash point: 84 · 84-85°C/101mm
storage temp.: Inert atmosphere,Room Temperature
form: clear liquid
color: Light orange to Yellow to Green
Viscosity: 180.804 mm2/s · 180.804mm2/s
Water Solubility: soluble
Sensitive: Hygroscopic
BRN: 6300212 · 6300212
InChI: 1S/C13H30N.ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (37.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 243 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: 1-Butanaminium, N,N-dibutyl-N-methyl-, chloride

1-Butanaminium, N,N-dibutyl-N-methyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanaminium, N,N-dibutyl-N-methyl-, 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: 16-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/21102

1-Butanaminium, N,N-dibutyl-N-methyl-, chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (37.4%)

Safety data

F: 8
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
ridadr: 2810
hs_code: 29211990
risk_code: 36/37/38-22-36-20/21/22
Signal word: Warning
Symbol(GHS)

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 1,000,000 - <2,500,000 lb

Industry UsesCatalyst

General Manufacturing Information · 2 items

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

1-Butanaminium, N,N-dibutyl-N-methyl-, chloride (1:1): ACTIVE

Applications

UsesTributylmethylammonium chloride solution is used as a phase transfer catalyst in the synthesis of ɛ-caprolactone by Baeyer-Villiger oxidation of cyclohexanone in the presence of KHSO5 as an oxidizing agent.