ChemicalBook--->CAS DataBase List--->3081-01-4

3081-01-4

3081-01-4 Structure

3081-01-4 Structure
IdentificationBack Directory
[Name]

N-(1,4-dimethylpentyl)-N'-phenylbenzene-1,4-diamine
[CAS]

3081-01-4
[Synonyms]

Naugard I 3
Santoflex 14
Einecs 221-374-3
SANTOFLEX14ANTIOZONANT
N14DIMETHYLPENTYLNPHENYL14BENZENEDIAMINE
N-(1,4-Dimethylpentyl)-N'-phenyl-1,4-benzenediam
N-(1,4-Dimethylamyl)-N'-phenyl-p-phenylenediamine
N-(5-Methyl-2-hexyl)-N'-phenyl-p-phenylenediamine
N-Phenyl-N'-(1,4-dimethylpentyl)-p-phenylenediamine
N-(1,4-dimethylpentyl)-N'-phenylbenzene-1,4-diamine
N-(1,4-dimethylpentyl)-N'-phenyl-p-phenylenediamine
1,4-Benzenediamine, N-(1,4-dimethylpentyl)-N-phenyl-
p-Phenylenediamine, N-(1,4-dimethylpentyl)-N'-phenyl-
N-Phenyl-N'-(1,4-dimethylpentyl)-1,4-phenylenediamine
1,4-Benzenediamine, N1-(1,4-dimethylpentyl)-N4-phenyl-
1,4-Benzenediamine,N1-(1,4-dimethylpentyl)-N4-phenyl-enediaminl
[EINECS(EC#)]

221-374-3
[Molecular Formula]

C19H26N2
[MDL Number]

MFCD01656953
[MOL File]

3081-01-4.mol
[Molecular Weight]

282.42
Chemical PropertiesBack Directory
[Boiling point ]

415.03°C (rough estimate)
[density ]

0.9517 (rough estimate)
[vapor pressure ]

0Pa at 25℃
[refractive index ]

1.8676 (estimate)
[solubility ]

DMSO: Sparingly Soluble: 1-10mg/mL
Ethanol: Sparingly Soluble: 1-10mg/mL
[pka]

6.70±0.50(Predicted)
[Water Solubility ]

670μg/L at 25℃
[LogP]

5.17 at 20℃
[EPA Substance Registry System]

1,4-Benzenediamine, N-(1,4-dimethylpentyl)-N'-phenyl- (3081-01-4)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Exclamation Mark (GHS07)Environment (GHS09)
GHS08,GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H400-H410-H317-H360
[Precautionary statements ]

P273-P391-P501-P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
[TSCA ]

TSCA listed
[REACH Registrations]

Active
Hazard InformationBack Directory
[Description]

7-PPD is a substituted p-phenylenediamine (PPD).1 It is toxic to the bacterium V. fisheri (EC50 = 0.8 mg/L). 7-PPD has been found in tire wear particles, crumb rubber, doormats, and laboratory stoppers, fine particulate matter 2.5 (PM2.5) samples collected at the roadside, and in river water and river sediments.2,3,4 It is toxic to rats (LD50 = 2,100 mg/kg).5 Formulations containing 7-PPD have been used as a rubber antiozonants and polymerization inhibitors.WARNING This product is not for human or veterinary use.
[Flammability and Explosibility]

Nonflammable
[Toxics Screening Level]

The initial threshold screening level (ITSL) for Santoflex 14 is 0.1 μg/m3 based on an annual averaging time.
[References]

[1] WEI WANG . Toxicity of substituted p-phenylenediamine antioxidants and their derived novel quinones on aquatic bacterium: Acute effects and mechanistic insights[J]. Journal of Hazardous Materials, 2024, 469: Article 133900. DOI: 10.1016/j.jhazmat.2024.133900
[2] HAOQI NINA ZHAO, EDWARD P. KOLODZIEJ*   Screening p-Phenylenediamine Antioxidants, Their Transformation Products, and Industrial Chemical Additives in Crumb Rubber and Elastomeric Consumer Products[J]. 环境科学与技术, 2023, 57 7: 2779-2791. DOI: 10.1021/acs.est.2c07014
[3] WEI WANG, ZONGWEI CAI*   Beyond Substituted p-Phenylenediamine Antioxidants: Prevalence of Their Quinone Derivatives in PM2.5[J]. 环境科学与技术, 2022, 56 15: 10629-10637. DOI: 10.1021/acs.est.2c02463
[4] ZHU J, GUO R, REN F, et al. Occurrence and partitioning of p-phenylenediamine antioxidants and their quinone derivatives in water and sediment[J]. Science of the Total Environment, 2024, 82 1. DOI: 10.1016/j.scitotenv.2024.170046
[5] D. J. RANDALL R B. Acute Toxicologic Evaluation of SANTOFLEX® 14 Antiozonant[J]. International Journal of Toxicology, 1990, 1 1: 103-104. DOI: 10.1177/109158189000100222
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