CAS 44992-01-0 Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1) (HCID 162071)

Overview

structure in first source

Names & identifiers

Preferred name: Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1)
IUPAC: trimethyl(2-prop-2-enoyloxyethyl)azanium chloride
English name: Acryloyloxyethyltrimethyl ammonium chloride
Molecular formula: C8H16ClNO2
Molecular weight: 193.67

Names & synonyms

44992-01-0(2-(Acryloyloxy)ethyl)trimethylammonium chloride2-(Dimethylamino)ethyl acrylate methochlorideADAMQUAT 80 MCADAME-QEINECS 256-176-62VO170W0XMDTXSID20280162-((1-Oxo-2-propenyl)oxy)-N,N,N-trimethylethanaminium chlorideEthanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)oxy]-, chlorideEC 256-176-6[2-(acryloyloxy)ethyl]trimethylammonium chloride

Show more names

DACDMAEA-QAETACAETADAC-80DIMETHYLAMINOETHYLACRYLATEMETHYLCHLORIDE2-ACRYLOXYETHYLTRIMETHYLAMMONIUM CHLORIDEMCQUAT DMAEAadamquat80mcEthanaminium,N

acryloxyethyltrimethylammonium chlorideEthanaminium, N,N,N-trimethyl-2-((1-oxo-2-propenyl)oxy)-, chlorideEthanaminium, N,N,N-trimethyl-2-((1-oxo-2-propen-1-yl)oxy)-, chloride (1:1)DTXCID508016Ethanaminium, 2-((1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-, chlorideAcryloyloxyethyltrimethylammonium Chloridedimethylaminoethyl acrylate methyl chloride2-(N,N-DIMETHYLAMINO)ETHYL ACRYLATE METHYL CHLORIDE

Database identifiers

CAS: 44992-01-0
PubChem CID: 162071
DTXSID: DTXSID2028016
ChEMBL: CHEMBL3186850
UNII: 2VO170W0XM
EC Number: 256-176-6

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 147

Experimental & physicochemical properties

Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)

Physical DescriptionLiquid

Physicochemical properties

Density: 1.132 g/mL · 1.132 g/mL at 25 °C
refractive index: 20 · n20/D 1.478
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
InChI: InChI=1S/C8H16NO2.ClH/c1-5-8(10)11-7-6-9(2,3)4;/h5H,1,6-7H2,2-4H3;1H/q+1;/p-1
InChIKey: FZGFBJMPSHGTRQ-UHFFFAOYSA-M
SMILES: O(C(=O)C=C)CC[N+](C)(C)C.[Cl-]
LogP: -3.1 at · -3.1 at 20℃ and pH7
CAS DataBase Reference: 44992 · 44992-01-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 2 VO170W0XM · 2VO170W0XM
EPA Substance Registry System: -2 · Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)oxy]-, chloride (44992-01-0)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317-H319
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-37/38-41-43-36
Safety Statements: 26 · 26-36/37/39-36/37
WGK Germany: -
TSCA: TSCA listed
HS Code: 29239000 · 29239000
Storage Class: 12 · 12 - Non Combustible Liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
Toxicity: 100 mL/24H · eye-rbt 100 mL/24H SEV NTIS** OTS0555907
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (99.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 406 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)oxy]-, chloride

Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, 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)

REACH registered substance: [2-(acryloyloxy)ethyl]trimethylammonium chloride (EC: 256-176-6)

Ethanaminium, N,N,N-trimethyl-2-((1-oxo-2-propenyl)oxy)-, 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 - Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)oxy]-, chloride: Human health tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (99.3%)

Safety data

wgk: -
tsca: TSCA listed
hs_code: 29239000
Toxicity: eye-rbt 100 mL/24H SEV NTIS** OTS0555907
risk_code: 22-37/38-41-43-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37/39-36/37
Storage Class: 12 - Non Combustible Liquids
Hazard statements: H302-H317-H319
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
Precautionary statements: P261-P264-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 100,000,000 - <500,000,000 lb

Industry UsesAdhesion/cohesion promoter

General Manufacturing Information · 2 items

Adhesive Manufacturing

Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1): ACTIVE

Applications

UsesAcryloyloxyethyltrimethyl ammonium chloride is mainly used in the preparation of flocculants for sludge dewatering, flocculants or dispersants for papermaking, fibre colourants, pigment dispersants and conductive coatings.