CAS 112-99-2 Dioctadecylamine (HCID 66989)

Names & identifiers

Preferred name: Dioctadecylamine
IUPAC: N-octadecyloctadecan-1-amine
English name: Dioctadecylamine
Molecular formula: C36H75N
Molecular weight: 521.99

Names & synonyms

Dioctadecylamine112-99-2Distearylamine1-Octadecanamine, N-octadecyl-569INV7SP8GENAMIN SH 200ARMEEN 2-18DTXSID8059425RefChem:589652DTXCID4033267204-020-2n-octadecyloctadecan-1-amine

Show more names

DODAFENTAMINE SA18AURORA KA-7662Dioctadecylamine(DODA)bisdecaoctalkaneylaminen-octadecyl-1-octadecanaminN-octadecyl-1-Octadecanamine

MFCD00048494DODA, DistearylamineEINECS 204-020-2UNII-569INV7SP8distearyl amineDioctadecyl aminebis-octadecylaminebis(octadecyl)amine

Database identifiers

CAS: 112-99-2
PubChem CID: 66989
DTXSID: DTXSID8059425
UNII: 569INV7SP8
EC Number: 204-020-2
Nikkaji: J193.608E

Properties

Computed structural properties

XLogP: 17.5
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 34
Heavy atoms: 37
Formal charge: 0
Complexity: 332

Physicochemical properties

Melting point: 71 · 71-73 °C
Boiling point: 524.75 °C · 524.75°C (estimate)
Density: 0.9086 · 0.9086 (estimate)
refractive index: 1.4841 · 1.4841 (estimate)
solubility: water: soluble(lit.)
pka: 10.84 · 10.84±0.19(Predicted)
Water Solubility: water: soluble(lit.)
BRN: 1801688 · 1801688
InChI: 1S/C36H75N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
InChIKey: HKUFIYBZNQSHQS-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC
FDA UNII: 569 INV7SP8 · 569INV7SP8
EPA Substance Registry System: 1 · 1-Octadecanamine, N-octadecyl- (112-99-2)
UNSPSC Code: 12352100 · 12352100
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
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 10 · 10-34
TSCA: TSCA listed
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (98.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 60 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Regulatory Information · 2 items

Chemical: 1-Octadecanamine, N-octadecyl-

1-Octadecanamine, N-octadecyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Fatty amines, di(long chain)alkyl: Human health tier II assessment

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (98.3%)

Skin irritation - category 2

Safety data

F: 10-34
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
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

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Octadecanamine, N-octadecyl-: ACTIVE

Applications · 2 items

UsesDioctadecylamine (DODA) is suitable reagent used in the synthesis of the following:Dioctadecylamine-BCN (bicyclo[6.1.0]nonyne) conjugate.Lipid derivatives of bisethylnorspermine (BSP).Functional VP (N-vinylpyrrolidone ) polymers.It may be used in the following studies:As a reactant in the synthesis of 4,4′-azobis(4-cyano-N,N-dioctadecyl)pentanamide (DODA-501) by reacting with disuccinimidyl 4,4′-azobis(4-cyanovalerate).As a reagent in the synthesis of dioctadecyl heptapeptides.As a phase transfer and stabilizer agent for gold nanoparticles (AuNPs) in non-polar solvent.

General DescriptionDioctadecylamine (DODA), a secondary amine, is a fatty amine derivative. Its biodegradation potential has been assessed. It has been observed that in aqueous medium DODA self organizes into plate like structures. Its partial charge distribution as a function of its conformation has been analyzed. The phase diagram of dioctadecylamine Langmuir monolayers has been determined and investigations show it does not form a monolayer above pH 3.9. DODA has been utilized in forming liposomes, cationic lipids or lipid chelating agents.