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
Show more names
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
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
Physical Description
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)
- form
- Solid
- color
- Colourless to Off-White
- Water Solubility
- 250 mg/L · 250mg/L at 25℃
- InChI
- InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
- InChIKey
- FARBQUXLIQOIDY-UHFFFAOYSA-M
- SMILES
- [N+](C)(C)(CCCCCCCC)CCCCCCCC.[Cl-]
- LogP
- 0.1 at · 0.1 at 21℃
- CAS DataBase Reference
- 5538 · 5538-94-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 X0RL40Y6H · 0X0RL40Y6H
- Pesticides Freedom of Information Act (FOIA)
- Dioctyl dimethyl ammonium chloride
- EPA Substance Registry System
- Dimethyl dioctyl ammonium chloride (5538-94-3)
- Symbol(GHS)
- 5 · GHS05,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318-H400-H310-H301-H410
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501-P273-P391-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
- RIDADR
- 2810 · 2810
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29239000 · 29239000
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
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
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.
Regulatory information
Regulatory Information
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)
- packing_group
- III
- Hazard statements
- H314-H318-H400-H310-H301-H410
- REACH Registrations
- Active
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310-P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501-P273-P391-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
Chemistry & industry
Uses & manufacturing
Uses
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]
General Manufacturing Information
Miscellaneous Manufacturing
1-Octanaminium, N,N-dimethyl-N-octyl-, chloride (1:1): ACTIVE
Applications
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
Additional notes
DefinitionChEBI: Dioctyldimethylammonium chloride is a quaternary ammonium salt.
Related reactions
Compound notes
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