Dioctyldimethylammonium chloride

HCID 62581

Basic information

CAS
5538-94-3
Standard SMILES
CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]
InChIKey
FARBQUXLIQOIDY-UHFFFAOYSA-M
Molecular formula
C18H40ClN
Average molar mass
306 g/mol
Monoisotopic mass
305.284928

Names & identifiers

Preferred name
Dioctyldimethylammonium chloride
IUPAC
dimethyl(dioctyl)azanium chloride
English name
Bisoctyl dimethyl ammonium chloride
Molecular formula
C18H40ClN
Molecular weight
305.97

Names & synonyms

5538-94-3Dioctyldimonium chlorideDioctyldimethylammonium chlorideQuerton 28CLDioctyl dimethyl ammonium chlorideDodigen 26171-Octanaminium, N,N-dimethyl-N-octyl-, chlorideAmmonium, dimethyldioctyl-, chlorideDTXSID6035491Dimethyl dioctyl ammonium chlorideRC 56260X0RL40Y6H
Show more names
Dimethyldioctylammonium chlorideD821Bardac(R) LFBardac(R) LF-70Bardac(R) LF-80Trospium Impurity 6Farnesane Impurity 66Trospium Impurity 4 ChlorideDimethyldioctylammoniumchlorid
dioctyldimethyl ammonium chloridePENTONIUM DO 50BARDAC LF 80SWANOL CA 3080DTXCID4015491DODMAC cpdDODMA-ClRefChem:588733

Database identifiers

CAS
5538-94-3
PubChem CID
62581
DTXSID
DTXSID6035491
ChEMBL
CHEMBL2357351
ChEBI
CHEBI:183784
UNII
0X0RL40Y6H
EC Number
226-901-0

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
14
Heavy atoms
20

Experimental & physicochemical properties

Physical Description · 2 items

Liquid

Viscous liquid; [BDH Laboratory Supplies]

Physicochemical properties

Melting point
75 °C · 75 °C
Boiling point
208.52 ℃[at · 208.52℃[at 101 325 Pa]
Density
0.926 · 0.926[at 20℃]
vapor pressure
0.001 Pa · 0.001Pa at 20℃
storage temp.
Refrigerator
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 0.4% (1 of 242) of reports.

Danger

H301 (62.8%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (36.8%): Harmful if swallowed [Warning Acute toxicity, oral];H310 (62.4%): Fatal in contact with skin [Danger Acute toxicity, dermal];H314 (99.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (62.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H400 (90.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (57.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P262, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 242 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 242 reports by companies.;There are 9 notifications provided by 241 of 242 reports by companies with hazard statement code(s).;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 · 6 items

Chemical: 1-Octanaminium, N,N-dimethyl-N-octyl-, chloride

Hazard Traits - Hazard Trait Undefined;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient

1-Octanaminium, N,N-dimethyl-N-octyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanaminium, N,N-dimethyl-N-octyl-, 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)

2004/129/EC

Status: Active Update: 27-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24263

1-Octanaminium, N,N-dimethyl-N-octyl-, 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 - Mono- and di-alkyl quaternary ammonium surfactants: Environment tier II assessment
Hazards SummaryA severe skin and eye irritant; [Reference #1] A skin and eye irritant; Harmful by ingestion; [BDH Laboratory Supplies] See Didecyl dimethyl ammonium chloride.
Hazard Classes and CategoriesAcute Tox. 3 (62.8%);Acute Tox. 4 (36.8%);Acute Tox. 2 (62.4%);Skin Corr. 1C (99.6%);Eye Dam. 1 (62.4%);Aquatic Acute 1 (90.1%);Aquatic Chronic 1 (57.4%)

Regulatory information

Regulatory Information · 6 items

Chemical: 1-Octanaminium, N,N-dimethyl-N-octyl-, chloride

Hazard Traits - Hazard Trait Undefined;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient

1-Octanaminium, N,N-dimethyl-N-octyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanaminium, N,N-dimethyl-N-octyl-, 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)

2004/129/EC

Status: Active Update: 27-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24263

1-Octanaminium, N,N-dimethyl-N-octyl-, 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.

Safety data

tsca
TSCA listed
ridadr
2810
hs_code
29239000
Signal word
Danger
Symbol(GHS)
GHS05,GHS09,GHS06
hazard_class
6.1(b)

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used as an antimicrobial for hard surfaces, laundry, carpets, agricultural equipment, food handling facilities, medical equipment, water storage and purification equipment, swimming pools, industrial water systems (recirculating cooling water, drilling muds, oil well injection, and wastewater), and as a wood preservative; [Reference #1]

Petroleum Production and Refining [Category: Industry];Applying Wood Preservatives [Category: Other];Using Disinfectants or Biocides [Category: Clean];Sewer and Wastewater Treatment [Category: Industry]

U.S. Production2023: <25,000 lb;2022: 75,000 - <100,000 lb;2021: 100,000 - <250,000 lb;2020: 25,000 - <50,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesProcessing aids not otherwise specified
Household ProductsInformation on 81 consumer products that contain Dioctyl dimethyl ammonium chloride in the following categories is provided:;• Auto Products;• Commercial / Institutional;• Home Maintenance;• Inside the Home
General Manufacturing Information · 2 items

Miscellaneous Manufacturing

1-Octanaminium, N,N-dimethyl-N-octyl-, chloride (1:1): ACTIVE

Applications · 4 items

UsesBardac(R) LF is a quaternary ammonium based antimicrobial used as a bacteriostat, disinfectant and/or a microbiocide. Bardac(R) LF is ideal for recirculating water systems where control of undesirable microbes without excessive foam is essential.

UsesBardac(R) LF-70 is a quaternary ammonium based antimicrobial used as a bacteriostat, disinfectant and(or) a microbiocide. It is ideal for recirculating water systems where control of undesirable microbes without excessive foam is essential.

UsesBardac(R) LF-80 is a quaternary ammonium based antimicrobial used as a bacteriostat, disinfectant and(or) a microbiocide. It is ideal for recirculating water systems where control of undesirable microbes without excessive foam is essential.

UsesBisoctyl Dimethyl Ammonium Chloride is used in the precipitation of silver ions and may be applied to the novel formation if nanoprecipitations using single reverse micellar system.

Upstream & downstream products

Upstream raw materials

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Hebei shuoxi biotechnology co. LTD+8613081092107
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Additional notes

DefinitionChEBI: Dioctyldimethylammonium chloride is a quaternary ammonium salt.

Related reactions

1 records

Compound notes

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