Crystal Violet lactone - ≥97% , CAS No.1552-42-7

CAS: 1552-42-7 Cat. No.: C302997 Molecular Weight: 415.53 EC Number: 216-293-5
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
AI3-17349 | AS-17340 | NSC 32991 | CVL 3,3-Bis-4-dimethylaminophenyl7-6-dimethylaminophthalide | Ethyl butyl sulfide | TI36900000 | 3,3-Bis(p-(dimethylamino)phenyl)-6-(dimethylamino)phthalide | 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]isobenzofur
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
1g
C302997-1g
2
$9.90
5g
C302997-5g
5

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$15.90
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25g
C302997-25g
8
$35.90
100g
C302997-100g
2
$79.90
500g
C302997-500g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$249.90
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Why this grade

≥97% 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 10 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Crystal Violet lactone is an important functional dye for the production of pressure sensitive materials. It is a chemical intermediate , intermediates for thermal/carbonless Paper, used in medicine and biochemical research, a leuco dye..

Specifications

Synonyms
AI3-17349 | AS-17340 | NSC 32991 | CVL 3, 3-Bis-4-dimethylaminophenyl7-6-dimethylaminophthalide | Ethyl butyl sulfide | TI36900000 | 3, 3-Bis(p-(dimethylamino)phenyl)-6-(dimethylamino)phthalide | 6-(dimethylamino)-3, 3-bis[4-(dimethylamino)phenyl]isobenzofur
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488184806
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488184806
Canonical SmilesCN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=C(C=C4)N(C)C
IUPAC Name6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
InChIKeyIPAJDLMMTVZVPP-UHFFFAOYSA-N
INCHI1S/C26H29N3O2/c1-27(2)20-11-7-18(8-12-20)26(19-9-13-21(14-10-19)28(3)4)24-16-15-22(29(5)6)17-23(24)25(30)31-26/h7-17H,1-6H3
Isomeric SMILES CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=C(C=C4)N(C)C
Molecular Weight 415.53
Reaxy-Rn 344787
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=344787&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
SuperclassOrganoheterocyclic compounds
ClassBenzofurans
SubclassBenzofuranones
Intermediate Tree Nodes Not available
Direct ParentBenzofuranones
Alternative Parents Phthalides  Dialkylarylamines  Aniline and substituted anilines  Lactones  Carboxylic acid esters  Amino acids and derivatives  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzofuranone - Phthalide - Isobenzofuranone - Isocoumaran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
External Descriptors Not available
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
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TNF Tclin TNF-alpha (1897 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
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 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
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 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
Associated Targets(non-human)
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
lef Anthrax lethal factor (7585 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
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.

13 results found

Lot NumberCertificate TypeDateItem
B2627536Certificate of AnalysisJan 29, 2026 C302997
B2627551Certificate of AnalysisJan 29, 2026 C302997
B2627559Certificate of AnalysisJan 29, 2026 C302997
A2609074Certificate of AnalysisJan 15, 2026 C302997
E2507020Certificate of AnalysisMay 09, 2025 C302997
G2110166Certificate of AnalysisApr 03, 2025 C302997
G2110169Certificate of AnalysisApr 03, 2025 C302997
G2110170Certificate of AnalysisApr 03, 2025 C302997
L2431085Certificate of AnalysisJun 13, 2024 C302997
C23301008Certificate of AnalysisMar 09, 2021 C302997
C23301010Certificate of AnalysisMar 09, 2021 C302997
H2321111Certificate of AnalysisMar 09, 2021 C302997
K2414086Certificate of AnalysisMar 09, 2021 C302997

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Chemical and Physical Properties
SolubilitySoluble in Toluene
Melt Point(°C)180-183°C (Lit.)
Molecular Weight415.500 g/mol
XLogP35.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass415.226 Da
Monoisotopic Mass415.226 Da
Topological Polar Surface Area36.000 Ų
Heavy Atom Count31
Formal Charge0
Complexity590.000
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. Xue Tong, Yin Yunjie.  (2023)  Thermochromic wool fabric prepared via grafting thiol-modified thermochromic microcapsule.  JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY,  108  (3): (768-777).  [PMID:] [10.1007/s10971-023-06232-5]
2. Guojian Yang, Baige Yang, Weijia Mu, Yinghao Ge, Yiru Cai, Zhiqiang Yao, Zhaoyu Ma, Yu-Mo Zhang, Sean Xiao-An Zhang.  (2020)  A Transparent Multidimensional Electrode with Indium Tin Oxide Nanofibers and Gold Nanoparticles for Bistable Electrochromic Devices.  ACS Applied Materials & Interfaces,      [PMID:32436379] [10.1021/acsami.0c01188]
3. Xu Zhiqun, Wu Qiao, Duan Yunjian, Yang Meixia, Ou Minrui, Xu Xiaoping.  (2017)  Development of a Novel Spectrophotometric Method Based on Diazotization-Coupling Reaction for Determination of Bisphenol A.  JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY,  28  (8): (1475-1482).  [PMID:] [10.21577/0103-5053.20160328]
4. Qi Liu, Chongqin Xu, Guiying Wang.  (2024)  A continuous thermochromic energy storage material with three colors based on two color-changing mechanisms.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2024.115211]
5. Yanshu Xiang, Yongjie Zhao, Yifan Jiang, Jiarui Feng, Xiaoyi Zhang, Wei Su, Yingjie Zhou, Peng Wei, Sze Shin Low, Hao Nan Li.  (2024)  Battery-Free and Multifunctional Microfluidic Janus Wound Dressing with Biofluid Management, Multi-Indicator Monitoring, and Antibacterial Properties.  ACS Applied Materials & Interfaces,      [PMID:39264683] [10.1021/acsami.4c09891]
6. Yingdong Cui, Xia Zhao, Zuquan Jin, Xiaohong Ji, Jizhou Duan, Baorong Hou.  (2025)  Construction of smart coatings containing core-shell nanofibers with self-healing and self-reporting properties.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2025.109240]
7. Wenhui Zhang, Hang Zhang, Shuhui Liu, Xingxiang Zhang, Wei Li.  (2024)  Preparation and crystallization behavior of sensitive thermochromic microencapsulated phase change materials.  APPLIED ENERGY,      [PMID:] [10.1016/j.apenergy.2024.122993]
8. Lu Yang, Jiaguang Meng, Lingjie Yu, Xingyun Gao, Yuqing Chen, Yongzhen Wang, Tao Xue, Yaming Liu, Chao Zhi.  (2024)  Reversible dual-responsive color-changing fabric based on thermochromic microcapsules for textile fashion and intelligent monitoring.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2024.112397]
9. Qi Liu, Shan Gao, Guiying Wang.  (2025)  Development of multi-colored reversible thermochromic phase change materials with different color formers.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2025.118274]
10. Xin Liu, Lu Jiang, Qiushi Li, Yan Dong, Yifan Lv, XinYi Li, LongXu Liu.  (2025)  MBT + CVL@Fe3O4 enhanced epoxy coating for self-healing and self-warning performance.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2025.109746]
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