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1116-76-3 molecular structure
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trioctylamine

ChemBase ID: 74459
Molecular Formular: C24H51N
Molecular Mass: 353.66844
Monoisotopic Mass: 353.40215064
SMILES and InChIs

SMILES:
N(CCCCCCCC)(CCCCCCCC)CCCCCCCC
Canonical SMILES:
CCCCCCCCN(CCCCCCCC)CCCCCCCC
InChI:
InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKey:
XTAZYLNFDRKIHJ-UHFFFAOYSA-N

Cite this record

CBID:74459 http://www.chembase.cn/molecule-74459.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trioctylamine
IUPAC Traditional name
tri(N-octyl)amine
Synonyms
TRICAPRYLYLAMINE PRACTICAL GRADE
Tri-n-octylamine
TOA
Trioctylamine
Tri-n-octylamine
三辛胺
三正辛胺
CAS Number
1116-76-3
EC Number
214-242-1
MDL Number
MFCD00009560
Beilstein Number
1210618
PubChem SID
162039378
24889736
24900500
24889735
PubChem CID
14227

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 5.5) 6.00179  LogD (pH = 7.4) 6.336945 
Log P 9.496691  Molar Refractivity 116.8209 cm3
Polarizability 46.588814 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds 21  Lipinski's Rule of Five false 
H Acceptors H Donor

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
chloroform: soluble0.1 g/mL, clear, colorless expand Show data source
Melting Point
-39°C expand Show data source
Boiling Point
164-168 °C/0.7 mmHg(lit.) expand Show data source
164-168°C/0.7mm expand Show data source
365-367 °C(lit.) expand Show data source
Flash Point
158°C(316°F) expand Show data source
163 °C expand Show data source
325.4 °F expand Show data source
Density
0.809 g/mL at 25 °C(lit.) expand Show data source
0.810 expand Show data source
0.810 g/mL at 20 °C expand Show data source
0.82 g/ml expand Show data source
Refractive Index
1.4485 expand Show data source
n20/D 1.449 expand Show data source
n20/D 1.449(lit.) expand Show data source
n20/D 1.450 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Air Sensitive expand Show data source
RTECS
RG8225000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN3082 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Risk Statements
36/37/38 expand Show data source
36/38-51/53 expand Show data source
Safety Statements
26 expand Show data source
26-37-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H315-H319-H411-H401 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280G-P273-P305+P351+P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
>90% expand Show data source
≥98.0% (GC) expand Show data source
≥99.0% expand Show data source
≥99.0% (NT) expand Show data source
95% expand Show data source
98% expand Show data source
Grade
PRACTICAL expand Show data source
puriss. expand Show data source
purum expand Show data source
SAJ first grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
[CH3(CH2)7]3N expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02157109 external link
Purity: >90%
1 ml = approx. 0.82 g
MP Biomedicals - 05219007 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - T81000 external link
Application
Trioctylamine is used as an extractant for organic acids (such as TCA, succinic acid, and acetic acid), and precious metals.
Packaging
25, 100, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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