Decyltrimethylammonium chloride
Basic information
- CAS
10108-87-9- Standard SMILES
CCCCCCCCCC[N+](C)(C)C.[Cl-]- InChIKey
HXWGXXDEYMNGCT-UHFFFAOYSA-M- Molecular formula
- C13H30ClN
- Average molar mass
- 235.84 g/mol
- Monoisotopic mass
- 235.2066777
Names & identifiers
- Preferred name
- Decyltrimethylammonium chloride
- IUPAC
- decyl(trimethyl)azanium chloride
- English name
- Decyltrimethylammonium chloride
- Molecular formula
- C13H30ClN
- Molecular weight
- 235.84
Names & synonyms
Decyltrimethylammonium chloride10108-87-9capryltrimethylammonium chloride0WO96AHN3GRefChem:123312233-299-3N,N,N-Trimethyldecan-1-aminium chloriden-decyltrimethylammonium chloridedecyl(trimethyl)azanium;chloride1-Decanaminium, N,N,N-trimethyl-, chloride1-Decanaminium, N,N,N-trimethyl-, chloride (1:1)decyltrimethylammoniumchloride
Show more names
95%CD18Potassium (2-aminophenyl)trifluoroboranuide2,4-bis(benzyloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine1031103CTNFR3D12S370TNFR-RPTNFR2-RP
MFCD00059967trimethylcaprylammonium chlorideAmmonium, decyltrimethyl-, chlorideCAPRYLTRIMONIUM CHLORIDEDTXSID00905940AKOS015904038CS-W012883DS-4369
Database identifiers
- CAS
10108-87-9- PubChem CID
- 24951
- DTXSID
DTXSID00905940- UNII
- 0WO96AHN3G
- EC Number
- 233-299-3
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 113
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Physical DescriptionCrystals; [TCI America MSDS]
Physicochemical properties
- Melting point
- 180 °C · >180°C (dec.)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- almost transparency
- Stability
- Hygroscopic
- InChI
- 1S/C11H12F2N2.C2H2O4.H2O/c1-6-8(2-3-14)9-4-7(12)5-10(13)11(9)15-6;3-1(4)2(5)6;/h4-5,15H,2-3,14H2,1H3;(H,3,4)(H,5,6);1H2
- InChIKey
- HYPUKXSAWYDQOQ-UHFFFAOYSA-N
- SMILES
- FC1=CC(F)=CC2=C1NC(C)=C2CCN.O=C(O)C(O)=O.O
- CAS DataBase Reference
- 10108 · 10108-87-9(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazards SummaryMay cause irritation; [TCI America MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 29239000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37/39-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.
Applications
UsesDecyltrimethylammonium Chloride is useful for the preparation of super absorbent resin for removing adult urine odor. A deodorant.
Suppliers
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Related reactions
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Compound notes
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