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Tetrapentylammonium iodide

HCID 17248
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Basic information

CAS
2498-20-6
Standard SMILES
CCCCC[N+](CCCCC)(CCCCC)CCCCC.[I-]
InChIKey
FBLZDUAOBOMSNZ-UHFFFAOYSA-M
Molecular formula
C20H44IN
Average molar mass
425.5 g/mol
Monoisotopic mass
425.25185

Names & identifiers

Preferred name
Tetrapentylammonium iodide
IUPAC
tetrapentylazanium iodide
English name
Tetrapentylammonium iodide
Molecular formula
C20H44IN
Molecular weight
425.47

Names & synonyms

2498-20-6TETRAPENTYLAMMONIUM IODIDE1-Pentanaminium, N,N,N-tripentyl-, iodide (1:1)DTXSID20883857RefChem:897387DTXCID501023341219-688-0Tetraamylammonium Iodidetetra-n-pentylammonium iodidetetrapentylazanium;iodidetetrapentylazanium iodideMFCD00041980
Show more names
2498-20-6.Bardac(R) 208 MtetrapentylazaniumTetrapentaaMMoniuMiodideetrapentylazanium,iodidetetrapentylazanium,iodide
1-Pentanaminium, N,N,N-tripentyl-, iodidetetra-n-Amylammonium iodideEINECS 219-688-0Tetraamylammoniumjodidtetrapentylammonium;iodideTetraamylammonium (iodide)TETRAPENTYLAMMONIUMIODIDEC20H44IN

Database identifiers

CAS
2498-20-6
PubChem CID
17248
DTXSID
DTXSID20883857
EC Number
219-688-0

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
16
Heavy atoms
22
Formal charge
0
Complexity
155

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Quaternary Amines
Physical DescriptionCream or light yellow hygroscopic powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
134 · 134-137 °C
storage temp.
30 °C · Store below +30°C.
solubility
7.4 g/l · 7.40g/l
form
powder to crystal
color
White to Almost white
Water Solubility
7.4 g/L · 7.40g/L
Sensitive
Light Sensitive
BRN
3917412 · 3917412
InChI
1S/C20H44N.HI/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
InChIKey
FBLZDUAOBOMSNZ-UHFFFAOYSA-M
SMILES
[I-].[N+](CCCCC)(CCCCC)(CCCCC)CCCCC

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 · 4 items

Warning

H315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Iodine for the TLV of Iodides.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety & protection

Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor (iodides)

Safety data

F
8
wgk
3
tsca
TSCA listed
ridadr
2811
hs_code
2923.90.0100
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Pentanaminium, N,N,N-tripentyl-, iodide (1:1): INACTIVE

Applications

UsesTetraamylammonium Iodide is is a quaternary ammonium based antimicrobial used as a bacteriostat, deodorant, disinfectant and(or) a microbiocide.

Upstream & downstream products

Downstream products

Tetrapentylammonium bromide

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
CAS DataBase Reference
2498 · 2498-20-6(CAS DataBase Reference)
EPA Substance Registry System
Tetrapentylammonium iodide (2498-20-6)
UNSPSC Code
12352107 · 12352107
NACRES
22 · NA.22
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs
Respiratory system
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36
RIDADR
2811 · 2811
WGK Germany
3 · 3
F
8 · 8
TSCA
TSCA listed
HS Code
2923.9 · 2923.90.0100
PackingGroup
III
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Storage Class
11 - Combustible Solids
packing_group
III
target organs
Respiratory system
Hazard statements
H315-H319-H335
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements
P261-P264-P271-P280-P302+P352-P305+P351+P338