Thymolphthalein - 0.05% , CAS No.125-20-2

CAS: 125-20-2 Cat. No.: T196525 Molecular Weight: 430.54 Beilstein Registry Number: 359413 EC Number: 204-729-7 PubChem CID: 31316
AVAILABLE TO ORDER
GRADE & PURITY 0.05%
Synonyms
1(3H)-Isobenzofuranone,3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]- | 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-isobenzofuranone | 5',5''-Diisopropyl-2',2''-dimethylphenolphthalein | 3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2-benzof
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100ml
T196525-100ml
3
$19.90
Enter a quantity for the sizes you want to add.
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Why this grade

0.05% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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 16 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1(3H)-Isobenzofuranone, 3-bis[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]- | 3, 3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-isobenzofuranone | 5', 5''-Diisopropyl-2', 2''-dimethylphenolphthalein | 3, 3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2-benzof
Specifications & Purity
0.05%
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
Canonical SmilesCC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O
IUPAC Name3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
InChIKeyLDKDGDIWEUUXSH-UHFFFAOYSA-N
INCHI1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3
Isomeric SMILES CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O
WGK Germany 3
PubChem CID 31316
Molecular Weight 430.54
Beilstein 359413
Reaxy-Rn 359413

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
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassTerpene lactones
Intermediate Tree Nodes Not available
Direct ParentTerpene lactones
Alternative Parents Phthalides  Aromatic monoterpenoids  Benzofuranones  Bicyclic monoterpenoids  Phenylpropanes  Cumenes  Meta cresols  Toluenes  1-hydroxy-2-unsubstituted benzenoids  Carboxylic acid esters  Lactones  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organic oxides  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Terpene lactone - Monoterpenoid - P-cymene - Aromatic monoterpenoid - Phthalide - Isobenzofuranone - Benzofuranone - Bicyclic monoterpenoid - Cumene - Phenylpropane - Isocoumaran - M-cresol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP2C9 Tchem Cytochrome P450 2C9 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC2A1 Tchem Glucose transporter (14755 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 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
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 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
A498 (42825 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHN (49357 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CAKI-1 (44928 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCRF-CEM (65223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
COLO 205 (50209 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DU-145 (51482 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KM12 (47707 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
M14 (47487 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MOLT-4 (49676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-3 (48710 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-4 (44535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-5 (45555 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-8 (47708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RPMI-8226 (44974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXF 393 (41971 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SF-295 (48000 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-2 (46422 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-28 (48833 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-5 (47095 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-OV-3 (52876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SN12C (47755 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNB-19 (46794 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TK-10 (45540 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-251 (51189 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UACC-257 (46019 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UACC-62 (47335 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UO-31 (46270 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
786-0 (47912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI/ADR-RES (33767 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
T47D (39041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EKVX (44102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H322M (45589 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mc4r Melanocortin receptor 4 (1205 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Streptococcus (3973 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Streptococcus sp. 'group A' (3417 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ht1 Hexose transporter 1 (14071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Npsr1 Neuropeptide S receptor (260 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 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
ska Streptokinase A (5805 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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
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.

2 results found

Lot NumberCertificate TypeDateItem
L2103333Certificate of AnalysisSep 25, 2025 T196525
K2106001Certificate of AnalysisAug 29, 2025 T196525
Chemical and Physical Properties
Melt Point(°C)251-253°C
Molecular Weight430.500 g/mol
XLogP36.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass430.214 Da
Monoisotopic Mass430.214 Da
Topological Polar Surface Area66.800 Ų
Heavy Atom Count32
Formal Charge0
Complexity636.000
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. Yao An, Zhaoxiang Yang, Yongjia Yang, Xinlei Li, Xinjia Zheng, Zhiwu Chen, Xun Wu, Beihang Xu, Yapei Wang, Yonglin He.  (2023)  Stretchable, Programmable and Magnet-Insensitive Protonic Display Based on Integrated Ionic Circuit.  Small,  20  (11): (2308875).  [PMID:37880900] [10.1002/smll.202308875]
2. Jing Zhang, Xingjie Shang, Ying Zhu, Xuan Yang, Shu Wang, Feixiang Gong, Lei Wang, Hongpeng Ma.  (2023)  Pyrrolidinium-functionalized Cardo (TPM) poly(arylene ether sulfone)s membranes for acid recovery: The effects of Cardo (TPM) microstructures.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2023.122205]
3. Yujie Zhu, Xinhong Zheng, Qiaoling Zeng, Rongbin Zhong, Yujing Guo, Feifei Shi, Peng Liang.  (2023)  The inhibitory effect of large yellow croaker roe phospholipid as a potential antioxidant on fish oil oxidation stability.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2023.103291]
4. Yongwu He, Mo Chen, Jing Wang, Gaomei Zhao, Songling Han, Yang Xu, Yin Chen, Cheng Wang, Junping Wang.  (2023)  A Comprehensive Chemistry Experiment for Undergraduates to Investigate the Photodegradation of Organic Dyes by ZnO/GO Nanocomposite.  JOURNAL OF CHEMICAL EDUCATION,      [PMID:] [10.1021/acs.jchemed.3c00172]
5. Beibei Yang, Fei Chen, Yi Wang, Ting Deng, Xinxin Feng, Jishan Li.  (2022)  Colorimetric nano-beacon and magnetic separation-based rapid and visual assay for gram-negative bacteria.  ANALYTICAL BIOCHEMISTRY,      [PMID:35944695] [10.1016/j.ab.2022.114824]
6. Rui Duan, Chao Peng, Lu Sun, Lu-Xia Zhang, Chen-Chen Bai, Lin-Yi Dong, Xian-Hua Wang.  (2020)  Integrating boronate affinity controllable-oriented surface imprinting nylon wire and pH-triggered allochroic-graphene oxide for ultrasensitive detection of glycoprotein.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2020.129310]
7. Haoyu Long, Yuanyi Deng, Yuefei Zhang, Sheng Tang, Wei Chen.  (2024)  A facile creation of hydrophilic-lipophilic-balanced covalent organic frameworks with mixed-mode retention mechanisms for multiple applications in liquid chromatography.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.109900]
8. Lin Wang, Haojie Xie, Tianci Zhou, Minghui Wang, Jie Yang, Tao Gao, Genxi Li.  (2024)  Assembly of Dye Molecules in Covalent Organic Frameworks for Enhanced Colorimetric Biosensing.  ANALYTICAL CHEMISTRY,      [PMID:39283703] [10.1021/acs.analchem.4c03365]
9. Haowen Jiang, Zuxue Mo, Xuerui Xie, Yilong Wu, Xiangyong Xue.  (2024)  Bio-Inspired Self-Healing Silicon Anodes: Harnessing Tea Polyphenols to Enhance Lithium-Ion Battery Performance.  ACS Applied Materials & Interfaces,      [PMID:39417557] [10.1021/acsami.4c12880]
10. Ke Yuan, Tao Zhang, Li Lv, Yan Wang, Zongpeng Zou, Shengwei Tang.  (2024)  Intensification Mechanism of Acidic Imidazole-Based Ionic Liquids on the Synthesis of 1,3,5-Trioxane Catalyzed by Sulfuric Acid.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c01576]
11. Zhenzhen Wu, Lin Wang, Zhiwen Hu, Xiuqing Guan, Yibin Chen, Mingming Xu, Xianrui Chen, Nitong Bu, Jie Duan, Wei Liu, Chen Ma, Jie Pang.  (2025)  Konjac glucomannan/zein active film loaded with tea polyphenol–ferric nanoparticles for strawberry preservation.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39837445] [10.1016/j.ijbiomac.2025.139905]
12. Yuyang Liu, Shiyin Zhao, Yujiao Li, Jian Huang, Xuheng Yang, Jianfang Wang, Cheng-an Tao.  (2024)  Mechanically Enhanced Detoxification of Chemical Warfare Agent Simulants by a Two-Dimensional Piezoresponsive Metal–Organic Framework.  Nanomaterials,  14  (7): (559).  [PMID:38607094] [10.3390/nano14070559]
13. Rongyu Xu, Tong Zhou, Mengyao Tian, Haoran Li, Shen Xu, Yuchen Yang, Yaru Zhang, Jinming Ma, Tifeng Jiao.  (2024)  Non-noble nickel-modified covalent organic framework for photocatalytic hydrogen production.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2024.135792]
14. Cuilian Yi, Chunyan Xu, Xiaoyan Zhao, Chenyi Wang, Hengxue Xiang.  (2024)  Synthesis of the fluorescent polymer containing pyrene and its application in the detection of tea polyphenol.  POLYMER ENGINEERING AND SCIENCE,      [PMID:] [10.1002/pen.27052]
15. Lina Ba, Mingyao E, Ruixuan Wang, Nan Wu, Rui Wang, Renling Liu, Xiang Feng, Hanping Qi, Hongli Sun, Guofen Qiao.  (2024)  Triptolide attenuates cardiac remodeling by inhibiting pyroptosis and EndMT via modulating USP14/Keap1/Nrf2 pathway.  Heliyon,      [PMID:38293551] [10.1016/j.heliyon.2024.e24010]
16. Xingyan Liu, Jinfeng Zhao, Jie Hao, Ying Zhang, Weiyi Cui, Dawei Lou, Xiyue Wang.  (2025)  Preparation of TP-PA-coated needle trap device for determination of polychlorinated biphenyls in milk combined with gas chromatography.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.108325]
Solution Calculators
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