CAS 2390-68-3 Didecyl dimethyl ammonium bromide (HCID 16957)

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Basic information

CAS: 2390-68-3
Standard SMILES: CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-]
InChIKey: UMGXUWVIJIQANV-UHFFFAOYSA-M
Molecular formula: C22H48N.Br
Average molar mass: 406.5 g/mol

Names & identifiers

Preferred name: Didecyl dimethyl ammonium bromide
IUPAC: didecyl(dimethyl)azanium bromide
English name: Didecyldimethylammonium bromide
Molecular formula: C22H48BrN
Molecular weight: 406.53

Names & synonyms

Didecyldimethylammonium bromide2390-68-3Didecyldimonium bromideDECIQUAMDidecyl Dimethyl Ammonium BromideBROMOSEPTDTXSID904652872L098XL5YDTXCID7026528RefChem:55014219-234-1N-Decyl-N,N-dimethyldecan-1-aminium bromide

Show more names

DeciquanDeciquan SolutionDDAB-80DDAB-75Decammonium bromideidecyl(dimethyl)azanium,bromide

Di-n-decyldimethylammonium bromideDDAB1-Decanaminium, N-decyl-N,N-dimethyl-, bromidedidecyl(dimethyl)azanium;bromideMFCD00012194didecyldimethylamine, bromideNCGC00166066-01C22H48BrN

Database identifiers

CAS: 2390-68-3
PubChem CID: 16957
DTXSID: DTXSID9046528
ChEMBL: CHEMBL2358929
UNII: 72L098XL5Y
EC Number: 219-234-1

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 18
Heavy atoms: 24
Formal charge: 0
Complexity: 200

Physicochemical properties

Melting point: 149 · 149-151 °C (lit.)
refractive index: 1.457 · 1.4570
storage temp.: Sealed in dry,Room Temperature
solubility: Soluble in methanol.
form: powder to crystal
color: White to Almost white
BRN: 6492993 · 6492993
Stability: Stable. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKey: UMGXUWVIJIQANV-UHFFFAOYSA-M
SMILES: C(CCCCCCCCC)[N+](C)(C)CCCCCCCCCC.[Br-]
CAS DataBase Reference: 2390 · 2390-68-3(CAS DataBase Reference)
FDA UNII: 72 L098XL5Y · 72L098XL5Y
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 1-Decanaminium, N-decyl-N,N-dimethyl-, bromide

Didecyldimethylammonium bromide: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Mono- and di-alkyl quaternary ammonium surfactants: Environment tier II assessment

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Safety data

F: 3-10
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29239000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-45-36/37/39-28
Storage Class: 11 - Combustible Solids
target organs: Respiratory system

Chemistry & industry

Applications

UsesDidecyldimethylammonium bromide (DDAB) is commonly used as a surfactant and a phase transfer catalyst. It is also used in the preparation of hydrophobic ammonium-based ionic liquid.