4-Isopropylaminodiphenylamine - ≥95% , CAS No.101-72-4

CAS: 101-72-4 Cat. No.: I157651 Molecular Weight: 226.32 EC Number: 202-969-7
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
Antioxidant IP | N-2-Propyl-N'-phenyl-p-phenylenediamine | NCGC00257032-01 | N-Phenyl-N'-isopropyl-1,4-phenylenediamine | P0327 | p-Phenylenediamine, N-isopropyl-N'-phenyl | p-Phenylenediamine, N-isopropyl-N'-phenyl- | UNII-0M7PSL4100 | N-Isopropyl-N'-phe
Storage
Argon charged,Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
25g
I157651-25g
2
$9.90
100g
I157651-100g
2
$24.90
250g
I157651-250g
3
$46.90
500g
I157651-500g
4
$75.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 13 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Antioxidant IP | N-2-Propyl-N'-phenyl-p-phenylenediamine | NCGC00257032-01 | N-Phenyl-N'-isopropyl-1, 4-phenylenediamine | P0327 | p-Phenylenediamine, N-isopropyl-N'-phenyl | p-Phenylenediamine, N-isopropyl-N'-phenyl- | UNII-0M7PSL4100 | N-Isopropyl-N'-phe
Specifications & Purity
≥95%
Storage
Argon charged, Room temperature
Shipped In
Normal
Action Type
INHIBITOR
Purity
≥95%
Names and Identifiers
Pubchem Sid488180489
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180489
Canonical SmilesCC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
IUPAC Name1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
InChIKeyOUBMGJOQLXMSNT-UHFFFAOYSA-N
INCHI1S/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
Isomeric SMILES CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
RTECS ST2650000
UN Number 1673
Packing Group III
Molecular Weight 226.32
Reaxy-Rn 2213195
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213195&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassAmines
Intermediate Tree Nodes Aralkylamines - Phenylalkylamines
Direct ParentPhenylisopropylamines
Alternative Parents Aniline and substituted anilines  Secondary alkylarylamines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenylisopropylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylisopropylamines. These are organic aromatic compounds containing a 1-phenylpropan-2-amine moiety.
External Descriptors N-substituted diamine
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATM Tchem Serine-protein kinase ATM (4198 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
G6PD Tchem Glucose-6-phosphate 1-dehydrogenase (778 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATXN2 Tbio Ataxin-2 (54410 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium berghei (192651 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
INS1 (2867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
dnaB Replicative DNA helicase (15 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ddn Putative uncharacterized protein (49 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGR Thioredoxin glutathione reductase (28579 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Large T antigen (1457 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Impa1 Inositol monophosphatase 1 (16203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS1 Nonstructural protein 1 (33327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
recA Protein RecA (2211 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
G6PD-6PGL Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (1761 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
vpr Aberrant vpr protein (14595 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
gst-3 Glutathione-S-transferase (103 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

15 results found

Lot NumberCertificate TypeDateItem
D2101083Certificate of AnalysisJan 13, 2025 I157651
D2101084Certificate of AnalysisJan 13, 2025 I157651
D2101085Certificate of AnalysisJan 13, 2025 I157651
D2101086Certificate of AnalysisJan 13, 2025 I157651
C2512466Certificate of AnalysisJul 29, 2024 I157651
C2512483Certificate of AnalysisJul 29, 2024 I157651
C2512484Certificate of AnalysisJul 29, 2024 I157651
C2512485Certificate of AnalysisJul 29, 2024 I157651
C2512486Certificate of AnalysisJul 29, 2024 I157651
C2512487Certificate of AnalysisJul 29, 2024 I157651
G2430087Certificate of AnalysisMay 09, 2024 I157651
G2430088Certificate of AnalysisMay 09, 2024 I157651
G2430089Certificate of AnalysisMay 09, 2024 I157651
F2411249Certificate of AnalysisMay 06, 2024 I157651
F2411250Certificate of AnalysisMay 06, 2024 I157651

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Chemical and Physical Properties
SolubilityInsoluble in water; Degree of Solubility in water: 600 mg/l 20 °C; Very soluble in Toluene,Chloroform,Acetone,Benzene,Methanol,Ethanol
Sensitivityair sensitive
Flash Point(°C)172°C
Boil Point(°C)180°C/5mmHg(lit.)
Melt Point(°C)72-85℃
Molecular Weight226.320 g/mol
XLogP34.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass226.147 Da
Monoisotopic Mass226.147 Da
Topological Polar Surface Area24.100 Ų
Heavy Atom Count17
Formal Charge0
Complexity201.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Zeying Yang, Boyong Cao, Yi Cao, Xiaowei An, Xiyan Yue, Guoqing Guan, Yanhao Zhang, Baoxian Ye, Zhengkun Xie.  (2023)  Ultra-sensitive hexagonal wurtzite zinc oxide-based electrochemical sensor for specific recognition of environmental trace N-(1,3-dimethylbutyl)-N′-phenyl-p-phenylenediamine.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2023.140039]
2. Xu Zhang, Zifang Peng, Shijiao Hou, Qiannan Sun, Hang Yuan, Dan Yin, Wenfen Zhang, Yanhao Zhang, Jianwei Tang, Shusheng Zhang, Zongwei Cai.  (2023)  Ubiquitous occurrence of p-Phenylenediamine (PPD) antioxidants and PPD-quinones in fresh atmospheric snow and their amplification effects on associated aqueous contamination.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38211520] [10.1016/j.jhazmat.2023.133409]
3. Dong An, Yiwen Cui, Rizheng He, Jiaqi Chen, Xiaoyuan Duan, Jiaxiong Li, Yaqing Liu, Yanli Liu, Huitao Yu, Chingping Wong.  (2023)  Improved interfacial interactions of modified graphene oxide/natural rubber composites with the low heat build-up and good mechanical property for the green tire application.  POLYMER COMPOSITES,      [PMID:] [10.1002/pc.27444]
4. Yuying Zhang, Lei Yan, Longxing Wang, Haijun Zhang, Jiping Chen, Ningbo Geng.  (2024)  A nation-wide study for the occurrence of PPD antioxidants and 6PPD-quinone in road dusts of China.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:38431175] [10.1016/j.scitotenv.2024.171393]
5. Zifang Peng, Shijiao Hou, Qingyun He, Fangcheng Su, Lishun Ren, Congcong Pei, Dan Yin, Yanhao Zhang, Yanjie Huang, Shusheng Zhang, Zongwei Cai.  (2025)  High-resolution observation per 1.5 h revealed prominent time-dependent daily contamination variations of p-phenylenediamine (PPD) antioxidants and their quinone derivatives PPDQs in PM2.5 from central China.  ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY,      [PMID:39778316] [10.1016/j.ecoenv.2024.117655]
6. Xu Zhang, Xiangbo Ji, Zifang Peng, Yanhao Zhang, Zongwei Cai, Shusheng Zhang.  (2025)  p-AAB/MXene as a novel adsorbent and SALDI matrix for highly efficient enrichment and rapid MS detection of emerging environmental organic pollutants in beverages and PM2.5.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39946819] [10.1016/j.chroma.2025.465759]
7. Chen Wang, Meichen Sun, Minghui He, Siyu Zhao, Meinuo Lv, Xiaotian Xu, Chunbei Ye, Linjing Li, Limin Su, Yuanhui Zhao.  (2024)  Photolysis of p-phenylenediamine rubber antioxidants in aqueous environment: Kinetics, pathways and their photo-induced toxicity.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:39236532] [10.1016/j.jhazmat.2024.135718]
8. Nan Jiang, Xuexin Hao, Zichen Wang, Minzhen Li, Dong Zhang, Rong Cao, Ruiqin Zhang, Haijun Zhang, Jiping Chen, Ningbo Geng.  (2024)  p‑Phenylenediamine antioxidants in PM2.5: New markers for traffic in positive matrix factorization source apportionment.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38986411] [10.1016/j.jhazmat.2024.135122]
9. Chenyang Rao, Fuhao Chu, Fang Fang, Dongfang Xiang, Bo Xian, Xiaying Liu, Shaopan Bao, Tao Fang.  (2024)  Toxic effects and comparison of common amino antioxidants (AAOs) in the environment on zebrafish: A comprehensive analysis based on cells, embryos, and adult fish.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:38485016] [10.1016/j.scitotenv.2024.171678]
10. Yichan Huo, Xiong Wang, Yang Yi, Zhirong Yang, Wenchang Wang, Huaijie Yao, Pingping Liu, Wenfen Zhang, Shusheng Zhang.  (2025)  An ultrastable tetraazacalix[2]arene[2]triazine functionalized MXene for highly selective and sensitive determination of p-Phenylenediamines and their quinone derivatives in environmental water via HPLC-MS/MS.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.166988]
11. Bowen Du, Hongyang Chen, Xiaohong Li, Yantian Ji, Duo Xu, Xianqiang Yin, Huimin Sun.  (2025)  Effect of different solution chemistry conditions on the transport of tire additives in porous media.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40555026] [10.1016/j.jhazmat.2025.139008]
12. Shuangjiang He, Zhong Zeng, Wenbin Chen, Xiao Xiao, Ning An, Youquan Ling, Shuai Li, Long Ni, Xiaowen Zhao, Mei Liang, Yang Chen, Huawei Zou.  (2025)  Multi-Mechanistic Bio-Based Antioxidants Constructed by Polyphenol-Thiourea-Rare Earth Synergy on Enhancing Thermo-Oxidative Aging Resistance of NBR.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2025.111872]
13. Shuangjiang He, Zhong Zeng, Hui Liu, Shaowei Chen, Lin Gan, Youquan Ling, Shuai Li, Long Ni, Xiaowen Zhao, Mei Liang, Yang Chen, Huawei Zou.  (2025)  Multi-mechanism biomass-derived poly(tannic acid)-based antioxidant (PTRB) for enhanced the thermo-oxidative resistance of NBR: Insights from experiments and molecular simulations.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2025.111881]
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