CAS No.3081-14-9,N,N'-BIS(1,4-DIMETHYLPENTYL)-P-PHENYLENEDIAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3081-14-9
Name:	N,N'-BIS(1,4-DIMETHYLPENTYL)-P-PHENYLENEDIAMINE
Article Data:	10

Formula:	C20H36 N2
Molecular Weight:	304.519
Synonyms:	1,4-Benzenediamine,N,N'-bis(1,4-dimethylpentyl)- (9CI);p-Phenylenediamine,N,N'-bis(1,4-dimethylpentyl)- (7CI,8CI);77PD;77PPD;Antioxidant 4030;DHPPD;Eastozone 33;Flexzone 4L;N,N'-Bis(1,4-dimethylpentyl)-1,4-benzenediamine;N,N'-Bis(1,4-dimethylpentyl)-1,4-phenylenediamine;N,N'-Bis(1,4-dimethylpentyl)-p-phenylenediamine;N,N'-Bis[2-(5-methylhexyl)]-p-phenylenediamine;N,N'-Di(1,4-dimethylpentyl)-p-phenylenediamine;Naugalube 443;Santoflex 77;Santoflex 77PD;Tenamene 4;UOP 788;Unilink 7100;Vulkanox 4030;
EINECS:	221-375-9
Density:	0.928g/cm³
Boiling Point:	421°Cat760mmHg
Flash Point:	234.8°C
Solubility:	800μg/L at 22℃
Safety:	Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NO_x.
PSA:	24.06000
LogP:	6.30580

Synthetic route

: 110-12-3
5-Methyl-2-hexanone

: 106-50-3
1,4-phenylenediamine

A: 63302-43-2
N-(1,4-dimethylpentyl)-p-phenylenediamine

B: 3081-14-9
N,N'-bis-(1,4-dimethylpentyl)-1,4-phenylenediamine

C: N-(1,4-dimethyl-pentylidene)-benzene-1,4-diamine

D: N,N'-bis-(1,4-dimethyl-pentylidene)-benzene-1,4-diamine

Conditions

Conditions	Yield
With hydrogen; (η4-1,5-cyclooctadiene)bis(triphenylphosphine)iridium hexafluorophosphate; Montmorillonite K10 at 80℃; under 7600 Torr; for 24h; Condensation; reduction;	A 10% B 48% C 19% D 23%
With hydrogen; Shrock-Osborn catalyst; Montmorillonite K10 at 80℃; under 7600 Torr; for 24h; Condensation; reduction;	A 20 % Spectr. B 75 % Spectr. C 3 % Spectr. D 2 % Spectr.

...Expand

: 110-12-3
5-Methyl-2-hexanone

: 106-50-3
1,4-phenylenediamine

A: 3081-14-9
N,N'-bis-(1,4-dimethylpentyl)-1,4-phenylenediamine

B: N,N'-bis-(1,4-dimethyl-pentylidene)-benzene-1,4-diamine

Conditions

Conditions	Yield
With hydrogen; Shrock-Osborn catalyst; Montmorillonite K10 at 80℃; under 7600 Torr; for 24h; Condensation; reduction;	A 99 % Spectr. B 1 % Spectr.

...Expand

: 110-12-3
5-Methyl-2-hexanone

: 106-50-3
1,4-phenylenediamine

: 3081-14-9
N,N'-bis-(1,4-dimethylpentyl)-1,4-phenylenediamine

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride; acetic acid In dichloromethane at 10 - 30℃; Temperature; Solvent; Reagent/catalyst; Inert atmosphere;

: 110-12-3
5-Methyl-2-hexanone

: 100-01-6
4-nitro-aniline

: 3081-14-9
N,N'-bis-(1,4-dimethylpentyl)-1,4-phenylenediamine

Conditions

Conditions	Yield
Stage #1: 5-Methyl-2-hexanone; 4-nitro-aniline at 120 - 124℃; for 24h; Autoclave; Stage #2: With palladium on activated charcoal; hydrogen at 155 - 160℃; under 15001.5 Torr; for 1.5h; Reagent/catalyst; Pressure;

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Chemistry

Chemistry informtion about N,N'-Bis(1,4-Dimethylpentyl)-P-Phenylenediaminerite (3081-14-9) is:
IUPAC Name: Pentyl nitrite
Synonyms: 77pd ; N,N'-Bis(1,4-Dimethylpentyl)-P-Phenylenediamine ; Santoflex(R) 77 ; (1,4-Dimethylpentyl)Phenylenediamine ; 4-Benzenediamine,N,N’-Bis(1,4-Dimethylpentyl)-1 ; 77ppd;Antioxidant4030 ; Eastozone
MF: C₂₀H₃₆N₂
MW: 304.51
EINECS: 221-375-9
Density: 0.928 g/cm³
Flash Point: 234.8 °C
Boiling Point: 421 °C at 760 mmHg
Enthalpy of Vaporization: 67.5 kJ/mol
Vapour Pressure: 2.69E-07 mmHg at 25°C
Following is the molecular structure of N,N'-Bis(1,4-Dimethylpentyl)-P-Phenylenediaminerite (3081-14-9) is:

Toxicity Data With Reference

1.	orl-rat LD50:750 mg/kg	85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,59.
2.	ipr-rat LDLo:800 mg/kg	RCTEA4 Rubber Chemistry and Technology. 45 (1972),627.
3.	orl-mus LD50:800 mg/kg	IPSTB3 International Polymer Science and Technology. 3 (1976),93.
4.	ipr-mus LDLo:400 mg/kg	RCTEA4 Rubber Chemistry and Technology. 45 (1972),627.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NO_x.

Specification

General description about N,N'-Bis(1,4-Dimethylpentyl)-P-Phenylenediaminerite (3081-14-9),it is a deep red slightly viscous liquid with an aromatic odor.
Air & Water Reactions: it may be sensitive to heat, air and moisture during long term storage. Insoluble in water.
Reactivity Profile: it may react with oxidizing agents . Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Health Hazard: Symptoms: Symptoms of exposure to it may include eye or skin irritation.
Fire Hazard: It is probably combustible.