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オクチルN(オクチルフェニル)アニリン

4,4'-Dioctyldiphenylamine

HCID 7569
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
101-67-7
標準SMILES
CCCCCCCCc1ccc(Nc2ccc(CCCCCCCC)cc2)cc1
InChIKey
QAPVYZRWKDXNDK-UHFFFAOYSA-N
分子式
C28H43N
平均分子量
393.6 g/mol
単同位体質量
393.33955038

概要

4,4'-dioctyldiphenylamine appears as white powder or beige solid. Slight amine odor. (NTP, 1992)

名称と識別子

優先名称
4,4'-Dioctyldiphenylamine
IUPAC
4-octyl-N-(4-octylphenyl)aniline
現地名
オクチルN(オクチルフェニル)アニリン
英語名
N,N-Bis(octylphenyl)amine
分子式
C28H43N
分子量
393.65

名称と別名

Bis(4-octylphenyl)amine101-67-74,4'-DIOCTYLDIPHENYLAMINEp,p-DioctyldiphenylamineBenzenamine, 4-octyl-N-(4-octylphenyl)-Bis(p-octylphenyl)amine4,4'-Dioctylphenylaminep,p'-DioctyldiphenylamineDi-n-octyl diphenylamineDiphenylamine, 4,4'-dioctyl-4-Octyl-N-(4-octylphenyl)benzenamineNOCRAC AD
名称をさらに表示
オクチルN(オクチルフェニル)アニリンBenzenamine, ar-octyl-N-(octylphenyl)-VANOX 12VANLUBE-81VANLUBE(R) 81Einecs 247-839-0AGERITE STALITE Sbis(octylphenyl)amineN,N-BIS(OCTYLPHENYL)AMINEOctyl-N-(octylphenyl)aniline
NSC 79268ANOX NSCCRIS 6029DTXSID3025170HSDB 5341EINECS 202-965-5AI3-1727928396EFO9I

データベース識別子

CAS
101-67-7、26603-23-6
PubChem CID
7569
DTXSID
DTXSID3025170
ChEBI
CHEBI:88866
UNII
28396EFO9I
EC Number
202-965-5
Nikkaji
J12.883J

物性

構造計算による物性

XLogP
11.6
極性表面積
12 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
16
重原子数
29
形式電荷
0
複雑度
315

実験および物理化学的性質

PolymersNitrogen Compounds -> Amines, Polyaromatic
Density0.99
Color/FormLIGHT TAN POWDER
Solubility · 2 件

less than 1 mg/mL at 70 °F (NTP, 1992)

SOL IN BENZENE, GASOLINE, ACETONE, ETHYLENE DICHLORIDE; INSOL IN WATER

Flash Point · 2 件

415 °F (NTP, 1992)

213 °C

Melting Point · 2 件

205 to 207 °F (NTP, 1992)

80-90 °C

Vapor Density1.01 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Physical Description · 3 件

4,4'-dioctyldiphenylamine appears as white powder or beige solid. Slight amine odor. (NTP, 1992)

Large Crystals

Light tan solid; [HSDB] White or beige solid with mild amine odor; [CAMEO] Brown solid; [MSDSonline]

Collision Cross Section218.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3025170]

物理化学的性質

NISTの化学物質情報
p,p'-Dioctyldiphenylamine(26603-23-6)
EPAの化学物質情報
Benzenamine, ar-octyl-N-(octylphenyl)- (26603-23-6)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

This chemical does not meet GHS hazard criteria for 22.9% (27 of 118) of reports.

H411 (75.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 118 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenamine, 4-octyl-N-(4-octylphenyl)-

Benzenamine, 4-octyl-N-(4-octylphenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 4-octyl-N-(4-octylphenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

4,4'-Dioctyldiphenylamine: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzenamine, 4-octyl-N-(4-octylphenyl)-: Human health tier I assessment
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include irritation of the skin, eyes nose, and throat. It can cause coughing and chest discomfort.
Hazards SummaryMinimal evidence of mutagenicity; Emergency treatment: Methemoglobinemia; [HSDB] A skin, eye, nose, and throat irritant; [CAMEO] Not irritating to skin or eyes of rabbits; [EPA HPVIS]
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 件

4,4'-DIOCTYLDIPHENYLAMINE may react with oxidizing agents (NTP, 1992). 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.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAquatic Chronic 2 (75.4%)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

毒性情報

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Non-Human Toxicity Excerpts · 3 件

EXPOSURE OF FROG EMBRYOS TO DIOCTYLDIPHENYLAMINE HAD NO DELETERIOUS EFFECTS ON DEVELOPMENT.

4,4-DIOCTYLDIPHENYLAMINE WAS SUBJECTED TO A MATRIX OF IN VITRO ASSAYS EMPLOYING MICROBIAL CELLS, MAMMALIAN CELLS IN CULTURE & IN VIVO TESTS MEASURING POTENTIAL GERM CELL EFFECTS IN MICE & RATS. IT WAS NOT ACTIVE IN MOST OF THE ASSAYS CONDUCTED IN THIS EVALUATION & EVIDENCE FOR ITS ACTIVITY IN UNSCHEDULED DNA SYNTHESIS & RAT DOMINANT LETHAL ASSAYS WAS LIMITED TO MARGINAL EFFECTS. NO CLEAR TRENDS SHOWING SIGNIFICANT GENETIC POTENTIAL WERE OBTAINED FROM THIS EVALUATION. WHILE IT CANNOT BE CLASSIFIED AS WITHOUT GENETIC ACTIVITY, THE TYPE OF POS DATA OBTAINED DOES NOT WARRANT CONCLUSION THAT IT REPRESENTS SERIOUS OR CARCINOGENIC RISK TO MAMMALS.

EFFECTS OF LUBE ADDITIVES, JET FUELS, & HYDRAZINES ON GROWTH OF TEST ALGA, SELENASTRUM CAPRICORNUTUM, WERE STUDIED. ADDN OF P,P'-DIOCTYLDIPHENYLAMINE AT 1 OR 100 MG/L HAD NO EFFECT ON ALGAL GROWTH.

安全データ

tsca
TSCA listed

化学と産業

用途と製造

Uses · 4 件

Used as an antioxidant for rubbers and petroleum-based lubricants and plastics; [HSDB]

ANTIOXIDANT FOR PETROLEUM-BASED & SYNTHETIC LUBRICANTS & PLASTICS

ANTIOXIDANT FOR RUBBERS & PLASTICS

ANTIOXIDANT FOR PETROLEUM-BASED & SYNTHETIC LUBRICANTS

U.S. Exports · 2 件

(1979) No Data

(1981) No Data

U.S. Imports · 2 件

(1979) No Data

(1981) No Data

U.S. Production · 3 件

2023: 50,000 - <250,000 lb

(1979) No Data

(1981) No Data

Consumer UsesAntioxidant
Industry UsesAntioxidant
Methods of ManufacturingSELF-CONDENSATION OF P-OCTYLANILINE IN THE PRESENCE OF MINERAL ACIDS, EG, HYDROCHLORIC ACID
General Manufacturing Information · 2 件

Rubber Product Manufacturing

Benzenamine, 4-octyl-N-(4-octylphenyl)-: ACTIVE

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HRID 1157020 の反応式
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HRID 1157021 の反応式
HRID 1157021反応物としてuspto-grants-1982_06
HRID 1388577 の反応式
HRID 1388577反応物としてuspto-grants-1984_02
HRID 1388975 の反応式
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HRID 1388976 の反応式
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化合物ノート

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