Related Searches: IPPD, antioxidant ippd

IPPD(CAS No. 101-72-4)

IPPD C15H18N2 (cas 101-72-4) Molecular Structure

101-72-4 Structure

Identification and Related Records

【Name】
IPPD
【CAS Registry number】
101-72-4
【Synonyms】
N-Isopropyl-N'-phenyl-1,4-phenylenediamine
Dusantox IPPD
Flexzone 3C
N-(1-Methylethyl)-N'-phenyl-1,4-benzenediamine
N-2-Propyl-N'-phenyl-p-phenylenediamine
N-Isopropyl-N'-phenyl-1,4-benzenediamine
N-Isopropyl-N'-phenyl-p-phenyldiamine
N-Isopropyl-N'-phenyl-p-phenylenediamine
N-Phenyl-N1-isopropyl-p-phenylenediamine
N-Phenyl-N'-isopropyl-p-phenylenediamine
NA 4010
NSC 41029
Naugard I 4
Nocrac 3C
Nocrac 810MA
Nocrac 810NA
Nonox ZA
Orflex PP
Ozonone 3C
Permanax 115
Permanax IPPD
Santoflex 36
Santoflex IP
Santoflex IPPD
Vulkanox 4010NA
Vulkanox 4010NA-LG
Vulkanox 4020NA
Diaphene FP
【EINECS(EC#)】
202-969-7
【Molecular Formula】
C15H18N2 (Products with the same molecular formula)
【Molecular Weight】
226.32
【Inchi】
InChI=1/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
【InChIKey】
OUBMGJOQLXMSNT-UHFFFAOYSA-N
【Canonical SMILES】
CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
【MOL File】
101-72-4.mol

Chemical and Physical Properties

【Appearance】
dark grey to black solid
【Density】
1.086 g/cm3
【Melting Point】
72-76℃
【Boiling Point】
161℃
【Flash Point】
230.9 °C
【Water】
<0.1 g/100 mL at 18 ºC
【Solubilities】
<0.1 g/100 mL at 18 °C in water
【Color/Form】
Dark gray to black flakes
【Stability】
Stable. Combustible. Incompatible with strong oxidizing agents.
【Storage temp】
Store in a cool, dry location. Keep away from heated pipes, ducts and direct sunlight.
【Computed Properties】
Molecular Weight:226.31682 [g/mol]
Molecular Formula:C15H18N2
XLogP3:4
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:4
Exact Mass:226.146999
MonoIsotopic Mass:226.146999
Topological Polar Surface Area:24.1
Heavy Atom Count:17
Formal Charge:0
Complexity:201
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:28

Safety and Handling

【Hazard Codes】
Xi: Irritant;N: Dangerous for the environment;Xn: Harmful;
【Risk Statements】
R36/37/38
【Safety Statements 】
26-36-61-60-37-24
【HazardClass】
6.1
【Hazard Note】

Irritant

【Safety】

Hazard Codes:?IrritantXi,?DangerousN,?HarmfulXn
Risk Statements: 36/37/38-50/53-43-22?
R36/37/38:Irritating to eyes, respiratory system and skin.?
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.?
R43:May cause sensitization by skin contact.?
R22:Harmful if swallowed.
Safety Statements: 26-36-61-60-37-24?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.?
S60:This material and its container must be disposed of as hazardous waste.?
S37:Wear suitable gloves.?
S24:Avoid contact with skin.
RIDADR: 3077
RTECS: ST2650000
Hazard Note: Irritant
PackingGroup: III

【PackingGroup 】
III
【Transport】
HAZARD
【Formulations/Preparations】
"Flexzone" /is/ trademark for a series of antiozonants, antioxidants and stabilizers based on para-phenylenediamine. /Flexzone/
"Santoflex" /is/ trademark for a series of rubber antioxidants and antiozonants. /Santoflex/
【Specification】

?N-Isopropyl-N'-phenyl-1,4-phenylenediamine (CAS NO.101-72-4) is also named as 1,4-Benzenediamine, N-(1-methylethyl)-N'-phenyl- ; 4-13-00-00115 (Beilstein Handbook Reference) ; 4-Anilino-N-isopropylaniline ; 4-Isopropylaminodiphenylamine ; 4010 NA ; 4010NA ; ASM 4010MA ; ASM 4010ma ; Antigene 3C ; Antioxidant 4010 NA ; Antioxidant 4010NA ; Antioxidant IP ; BRN 2213195 ; CCRIS 4833 ; Cyzone ; Cyzone IP ; Diafen FP ; Diaphen FP ; Elastozone 34 ; Flexzone 3C ; HSDB 5342 ; IPPD ; Ipognox 44 ; N-2-Propyl-N'-phenyl-p-phenylenediamine ; N-Fenyl-N'-isopropyl-p-fenylendiamin ; N-Fenyl-N'-isopropyl-p-fenylendiamin [Czech] ; N-Isopropyl-N'-fenyl-p-fenylendiamin ; N-Isopropyl-N'-fenyl-p-fenylendiamin [Czech] ; N-Isopropyl-N'-phenyl-p-phenylenediamine ; N-Isopropyl-N'-phenyl-para-phenylenediamine ; N-Phenyl-N'-isopropyl-1,4-phenylenediamine ; N-Phenyl-N'-isopropyl-p-phenylenediamine ; Santoflex IP ; p-Phenylenediamine, N-isopropyl-N'-phenyl- ; para-Isopropylaminodiphenylamine .?N-Isopropyl-N'-phenyl-1,4-phenylenediamine (CAS NO.101-72-4) is dark grey to black solid with an aromatic odor. It may be sensitive to heat, air, light and moisture during long term storage. It is insoluble in water. N-Isopropyl-N'-phenyl-1,4-phenylenediamine reacts 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. N-Isopropyl-N'-phenyl-1,4-phenylenediamine is combustible.

【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

REACTION OF P-CHLORONITROBENZENE WITH ANILINE TO YIELD P-NITRODIPHENYLAMINE WHICH IS REDUCTIVELY ALKYLATED WITH ACETONE OVER A NICKEL/CHROMIUM CATALYST
Acetone + p-aminodiphenylamine (reductive amination)
U.S. Imports

(1979) 2.11X10+8 GRAMS (PRINCPL CUSTMS DISTS)
(1981) 2.40X10+7 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS
【Usage】

Protection of rubbers against oxidation, ozone, flexcracking, and poisoning by copper and manganese.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Naturally occurring or synthetic substances that inhibit or retard the oxidation of a substance to which it is added. They counteract the harmful and damaging effects of oxidation in animal tissues.
【Biomedical Effects and Toxicity】
Urinary excretion of N-isopropyl-N'-phenyl-p-phenylenediamine (101724) (IPPD) was analyzed in 16 press operators exposed to this compound in a rubber curing workshop. A total of 22 urine samples were collected from each worker at the beginning and end of each work day over a 2 week period. ... Rapid excretion of IPPD occurred during the working day, with mean levels of IPPD in urine samples collected before and after shifts of 19.55 and 83.57 micrograms per liter (microg/l), respectively. A total of 4.4 percent of before and 28.7 percent of after shift samples showed no detectable IPPD. A second slow component of excretion was observed during the week, with mean concentrations in before shift samples rising from 10.8 to 25.8microg/l between the beginning and end of the week. In a skin absorption experiment, with one of the authors as subject, one hand was immersed in water containing IPPD for 90 minutes. IPPD levels in the urine were measured at 0, 3, 5, and 10.5 hours after exposure, and were found to be 0, 100, 350, and 570 ug/l, respectively. The excretion rate ceased 7 days after exposure. It was concluded that the kinetics of excretion of IPPD in workers exposed daily to this compound has two different components, an initially rapid one followed by a slow one, and that there are three different components of excretion kinetics after skin absorption with half times of 3, 7, and 24 hours. [Scansetti G et al; International Archives of Occupational and Environmental Health 59 (6): 537-43 (1987)] PubMed Abstract

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1.3X10+4(SRC), determined from a structure estimation method(2), indicates that 4-(iso-propylamino)diphenylamine is expected to be immobile in soil(SRC). Volatilization of 4-(iso-propylamino)diphenylamine from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.4X10-9 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The estimated pKa of 4-(iso-propylamino)diphenylamine is 5.1(5), indicating that this compound will exist only slightly in the cation form(SRC). Cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts. 4-(Iso-propylamino)diphenylamine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.5X10-5 mm Hg(SRC), determined from a fragment constant method(4).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1.3X10+4(SRC), determined from an estimation method(2), indicates that the non-protonated form of 4-(iso-propylamino)diphenylamine is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 1.4X10-9 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). An estimated pKa of 5.1(8) indicates 4-(iso-propylamino)diphenylamine will exist only slightly in the cation form at pH values of 5 to 9(SRC). Cations generally adsorb to suspended solids and sediment more strongly thantheir neutral counterparts. According to a classification scheme(5), an estimated BCF of 67(SRC), from an estimated log Kow of 3.3(6), and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is moderate.
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 4-(iso-propylamino)diphenylamine, which has an estimated vapor pressure of 3.5X10-5 mm Hg at 25 deg C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase 4-(iso-propylamino)diphenylamine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 2 hours(SRC), calculated from its rate constant of 2.2X10-10 cu cm/molecule-sec at 25 deg C(SRC) determined using a structure estimation method(3). Particulate-phase 4-(iso-propylamino)diphenylamine may be removed from the air by wet and dry deposition(SRC).

Supplier Location

Top Suppliers

Diamond member Wuhan H.X.K Fine Chemicals Co.,LTD
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-59721024
Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member MOSINTER GROUP LIMITED
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-574-89212210
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Hui Chem Company Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-60542966
Finetech Industry limited.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-87465837
Wuhan Haizheng Industry & Trade Development Co. Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-88660577
TianJin North JinHeng Chemical Plant
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-22-59952083
Shanghai Hope Chem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-61723543
Jinan Haohua Industry Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-531-58773055

Quick Search

Cas    Name