Thymolphthalein - indicator , CAS No.125-20-2

Name: Thymolphthalein - indicator , CAS No.125-20-2
SKU: T104284
Availability: InStock

CAS: 125-20-2 Cat. No.: T104284 Fórmula: C₂₈H₃₀O₄ Peso molecular: 430.54 Beilstein Registry Number: 359413 Número CE: 204-729-7 PubChem CID: 31316

16 Citations COA

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Thymolphthalein - indicator CAS No(125-20-2) T104284 by Aladdin Scientific

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Disponível para encomenda

GRADE & PURITY Indicator ?

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

Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas FAQs e artigos Citations of This Product Calculadoras de soluções Revisões

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Why this grade

indicator Indicator for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Sinónimos

Especificações e pureza

indicator

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Indicator

Nomes e identificadores

Pubchem Sid

504753460

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753460

Sorrisos canónicos

CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O

IUPAC Name

3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one

InChIKey

LDKDGDIWEUUXSH-UHFFFAOYSA-N

INCHI

1S/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

SMILES isoméricas

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 Alemanha

PubChem CID

31316

Peso molecular

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

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Classe Prenol lipids
    - Subclass Terpene lactones

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Classe	Prenol lipids
Subclass	Terpene lactones
Intermediate Tree Nodes	Not available
Direct Parent	Terpene 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 Framework	Aromatic 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
Descrição	This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estrutura 3D

Alvos associados (humanos)

CYP2C9 Tchem Cytochrome P450 2C9 (1 Activities)

Discover Target: CYP2C9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC2A1 Tchem Glucose transporter (14755 Activities)

Discover Target: SLC2A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Data	Item
H2606042	Certificate of Analysis	Oct 15, 2026	T104284
L2220294	Certificate of Analysis	Sep 22, 2026	T104284
I2603360	Certificate of Analysis	Sep 07, 2026	T104284
I2603357	Certificate of Analysis	Sep 07, 2026	T104284
I2603356	Certificate of Analysis	Sep 07, 2026	T104284
I2603355	Certificate of Analysis	Sep 07, 2026	T104284
L2411798	Certificate of Analysis	Sep 01, 2026	T104284
L2220305	Certificate of Analysis	Jun 09, 2026	T104284
H2604090	Certificate of Analysis	Aug 29, 2025	T104284
H2520479	Certificate of Analysis	Aug 29, 2025	T104284
H2520478	Certificate of Analysis	Aug 29, 2025	T104284
H2520473	Certificate of Analysis	Aug 29, 2025	T104284
H2520472	Certificate of Analysis	Aug 29, 2025	T104284
E2506365	Certificate of Analysis	May 15, 2025	T104284
E2506364	Certificate of Analysis	May 15, 2025	T104284
D2614029	Certificate of Analysis	May 15, 2025	T104284
E2506367	Certificate of Analysis	May 15, 2025	T104284
E2506366	Certificate of Analysis	May 15, 2025	T104284
L2411793	Certificate of Analysis	Dec 16, 2024	T104284
L2411789	Certificate of Analysis	Dec 16, 2024	T104284
L2411788	Certificate of Analysis	Dec 16, 2024	T104284
H2323039	Certificate of Analysis	Aug 30, 2023	T104284
G2130329	Certificate of Analysis	May 09, 2023	T104284
G2130326	Certificate of Analysis	May 09, 2023	T104284
C23071080	Certificate of Analysis	Mar 10, 2023	T104284
C23071068	Certificate of Analysis	Mar 10, 2023	T104284
K2413070	Certificate of Analysis	Mar 10, 2023	T104284
K2408312	Certificate of Analysis	Mar 10, 2023	T104284
B2311394	Certificate of Analysis	Feb 23, 2023	T104284
B2311386	Certificate of Analysis	Feb 16, 2023	T104284
B2311385	Certificate of Analysis	Feb 16, 2023	T104284
L2220291	Certificate of Analysis	Dec 22, 2022	T104284
C2429035	Certificate of Analysis	Dec 22, 2022	T104284
L2220292	Certificate of Analysis	Dec 22, 2022	T104284
L2220293	Certificate of Analysis	Dec 22, 2022	T104284
L2220299	Certificate of Analysis	Dec 22, 2022	T104284
L2220304	Certificate of Analysis	Dec 22, 2022	T104284
K2228277	Certificate of Analysis	Dec 03, 2022	T104284
K2209137	Certificate of Analysis	Aug 03, 2021	T104284
K2209136	Certificate of Analysis	Aug 03, 2021	T104284
G2130330	Certificate of Analysis	Aug 03, 2021	T104284

Sensibilidade	Moisture sensitive.
Ponto de fusão (°C)	251-253°C
Peso molecular	430.500 g/mol
XLogP3	6.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	430.214 Da
Monoisotopic Mass	430.214 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	636.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Thymolphthalein - indicator , CAS No.125-20-2

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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