2,2,4-Trimethyl-1,2-dihydroquinoline - ≥95% , CAS No.147-47-7

CAS: 147-47-7 Cat. No.: T191011 Molecular Weight: 173.25 EC Number: 205-688-8 PubChem CID: 8981
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
2,2,4-Trimethyl-1,2-dihydroquinone | Vulkanox HS/LG | CCRIS 4795 | DTXSID0025070 | NCGC00073733-03 | Flectol pastilles | D70537 | FT-0621798 | HSDB 1103 | Acetonanyl (Salt/Mix) | AMY41313 | CCRIS 4914 | Acetone anil (quinoline derivative) | CAS-147-47-7 |
Storage
Room temperature
Shipped In
Normal
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1g
T191011-1g
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T191011-5g
5

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25g
T191011-25g
1

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100g
T191011-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

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Why this grade

≥95% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2, 2, 4-Trimethyl-1, 2-dihydroquinone | Vulkanox HS/LG | CCRIS 4795 | DTXSID0025070 | NCGC00073733-03 | Flectol pastilles | D70537 | FT-0621798 | HSDB 1103 | Acetonanyl (Salt/Mix) | AMY41313 | CCRIS 4914 | Acetone anil (quinoline derivative) | CAS-147-47-7 |
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Pubchem Sid504751773
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751773
Canonical SmilesCC1=CC(NC2=CC=CC=C12)(C)C
IUPAC Name2,2,4-trimethyl-1H-quinoline
InChIKeyZNRLMGFXSPUZNR-UHFFFAOYSA-N
INCHI1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3
Isomeric SMILES CC1=CC(NC2=CC=CC=C12)(C)C
PubChem CID 8981
Molecular Weight 173.25

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
SubclassQuinolones and derivatives
Intermediate Tree Nodes Not available
Direct ParentHydroquinolones
Alternative Parents Hydroquinolines  Secondary alkylarylamines  Benzenoids  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Dihydroquinolone - Dihydroquinoline - Secondary aliphatic/aromatic amine - Benzenoid - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 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
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 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
Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 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.

6 results found

Lot NumberCertificate TypeDateItem
E2306659Certificate of AnalysisFeb 04, 2026 T191011
B2303934Certificate of AnalysisOct 30, 2025 T191011
F2123322Certificate of AnalysisApr 03, 2024 T191011
F2123327Certificate of AnalysisApr 03, 2024 T191011
F2123328Certificate of AnalysisApr 03, 2024 T191011
F2123333Certificate of AnalysisJun 28, 2021 T191011
Chemical and Physical Properties
Molecular Weight173.250 g/mol
XLogP32.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass173.12 Da
Monoisotopic Mass173.12 Da
Topological Polar Surface Area12.000 Ų
Heavy Atom Count13
Formal Charge0
Complexity227.000
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
Citations of This Product
References
1. 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]
Solution Calculators
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