4-Octylaniline (HCID 85346)

Names & identifiers

Preferred name: 4-Octylaniline
IUPAC: 4-octylaniline
English name: 4-n-Octylaniline
Molecular formula: C14H23N
Molecular weight: 205.34

Names & synonyms

4-Octylaniline4-n-Octylaniline16245-79-7p-OctylanilineBenzenamine, 4-octyl-4-Octylphenylamine4-octylbenzenaminep-n-octylanilineO9FN212WZZEINECS 240-358-7ANILINE, P-OCTYL-DTXSID6022266

Show more names

4-octyl-Octylaniline4-n-Octylaniline>TIMTEC-BB SBB008315

RefChem:526074DTXCID802266240-358-74-octyl anilineMFCD00007929SCHEMBL111952AKOS015839936SB78179

Database identifiers

CAS: 16245-79-7
PubChem CID: 85346
DTXSID: DTXSID6022266
UNII: O9FN212WZZ
EC Number: 240-358-7
Nikkaji: J46.001J

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 15
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 17 °C · 17°C
Boiling point: 175 °C/13 · 175 °C/13 mmHg (lit.)
Density: 0.898 g/mL · 0.898 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.516(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to lump to clear liquid
pka: 4.96 · 4.96±0.10(Predicted)
color: White or Colorles to Yellow to Orange
Water Solubility: Insoluble in water.
InChI: InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3
InChIKey: ORKQJTBYQZITLA-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(CCCCCCCC)C=C1
CAS DataBase Reference: 16245 · 16245-79-7(CAS DataBase Reference)
FDA UNII: 9 FN212WZZ · O9FN212WZZ
EPA Substance Registry System: 4 · 4-Octylaniline (16245-79-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H400
Precautionary statements: 261 · P261-P264-P271-P273-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
RIDADR: 3082 · UN 3082 9 / PGIII
WGK Germany: 3 · 3
HS Code: 29214990 · 29214990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 1 Eye · Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (11.4%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3082 9 / PGIII
hs_code: 29214990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335-H400
Hazard Classifications: Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P273-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses4-Octylaniline can be been used as an extractant during the extraction of microgram level concentrations of ruthenium(IV) from halide medium. It can also been used in the synthesis of selective benzimidazole based analogs of sphingosine-1-phosphate.

Uses4-Octylaniline has been used as an extractant during the extraction of microgram level concentrations of ruthenium(IV) from halide medium. It has also been used in the synthesis of selective benzimidazole based analogs of sphingosine-1-phosphate.

General DescriptionMicrometer-sized oil droplet of 4-octylaniline containing 5 mol% of an amphiphilic catalyst exhibits a self-propelled motion, producing tiny oil droplets. Kinetics of proton transfer facilitated by 4-octylaniline across the water/1,2-dichloroethane interface has been investigated by cyclic voltammetry and ac impedance.