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HCID 6733Erstellt: 5. November 2026

2-Isovalerylindan-1,3-dion

valone · isoval · 2-Isovalerylindane-1,3-dione · PMP(R) · NSC-5754 · AI300366 · VALONE(R) · AI3 00366

https://huagongshe.com/de/chemical/6733

Molekülstruktur von 2-Isovalerylindan-1,3-dion

Identifikatoren & physikalische Daten

CAS No.83-28-3
SummenformelC14H14O3
Durchschnittliche Molmasse230,26 g/mol
Monoisotopische Masse230,0942943 g/mol
SMILESCC(C)CC(=O)C1C(=O)c2ccccc2C1=O
InChIKeyPVWMAOPFDINGAY-UHFFFAOYSA-N
PubChem CID6733
ChEMBLCHEMBL3186888
EC No.201-464-9
DTXSIDDTXSID8042509
Lokaler Name2-Isovalerylindan-1,3-dion

Chemische & physikalische Eigenschaften

XLogP2,6
Polarare Oberfläche (TPSA)51,2
H-Brücken-Donoren0
H-Brücken-Akzeptoren3
Frei drehbare Bindungen3
Schwere Atome17
Formalladung0
Komplexität332
ArzneimittelPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
PestizideRodenticidesActive substance -> EU Pesticides database: Not approvedPesticides -> Rodenticides, Anticoagulant
Color/FormYellow, crystalline solid.Yellow solid from methanol
LöslichkeitInsoluble in watersoluble in common organic solvents.
Schmelzpunkt68-69 °C
Dampfdruck0.00000688 [mmHg]
Physical DescriptionYellow solid[Merck Index] Yellow crystalline solid[MSDSonline]
Collision Cross Section154.2 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID8042509]
Siedepunkt312.25°C (rough estimate)
Dichte1.1914 (rough estimate)
Brechungsindex1.5557 (estimate)
pKa (Säurekonstante)3.12±0.10(Predicted)
EPA chemische InformationenValone (83-28-3)

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Regulatorische Informationen2004/129/EC
GefahrenübersichtA vitamin K antagonist--causes disruption of clotting factors and bleeding[HSDB] An indandione anticoagulant rodenticide[INCHEM] See Warfarin.
Special ReportsWHOEnviron Health Criteria 175: Anticoagulant Rodenticides (1995)
FIFRA-AnforderungenAs the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA '88 were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. 2-Isovaleryl-1,3-indandione is found on List B. Case No: 2825Pesticide type: rodenticideCase Status: No products containing the pesticide are actively registered. Therefore, we are characterizing the case as "cancelled." Under FIFRA, pesticide producers may voluntarily cancel their registered products. EPA also may cancel pesticide registrations if registrants fail to pay required fees or make/meet certain reregistration commitments, or if EPA reaches findings of unreasonable adverse effects.Active ingredient (AI): 2-Isovaleryl-1,3-indandioneAI Status: The active ingredient is no longer contained in any registered products ... "cancelled."
EntsorgungsverfahrenSRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
WechselwirkungenThe following drugs ... may increase ... response to coumarin or indandione derivatives: alcohol (acute intoxication), allopurinol, aminosalicylic acid, amiodarone, anabolic steroids, chloral hydrate, chloramphenicol, cimetidine, clofibrate, co-trimoxazole, danazol, dextrothyroxine sodium, diazoxide, diflunisal, disulfiram, erythromycin, ethacrynic acid, fenoprofen calcium, glucagon, ibuprofen, indomethacin, influenza virus vaccine, isoniazid, meclofenamate, mefenamic acid, methylthiouracil, metronidazole, miconazole, nalidixic acid, neomycin (oral), pentoxifylline, phenylbutazone, propoxyphene, propylthiouracil, quinidine, quinine, salicylates, streptokinase, sulfinpyrazone, sulfonamides, sulindac, tetracyclines, thiazides, thyroid drugs, tricyclic antidepressants, urokinase, vitamin E. /Coumarin & indandione derivatives/The following drugs ... may ... decrease ... response to coumarin or indandione derivatives: alcohol (chronic alcoholism), barbiturates, carbamazepine, corticosteroids, corticotropin, ethchlorvynol, glutethimide, griseofulvin, mercaptopurine, methaqualone, oral contraceptives containing estrogen, rifampin, spironolactone, vitamin K. /Coumarin & indandione derivatives/
Ökotoxizitätsauszüge/ACCIDENTAL POISONINGS/ /In domestic animals,/ signs of poisoning occur after a latent period of 12 hr to several days and may include: bruising easily with occasional nose or gum bleedsblood in stools or urineexcessive bleeding from minor cuts or abrasionslabored breathingpale mouth and cold gumsanorexia and general weakness. A reliable indication of an anticoagulant effect is the determination of prothrombin time. /Anticoagulant rodenticides/
Human Toxicity Excerpts/HUMAN EXPOSURE STUDIES/ Typical features of poisoning result from increased bleeding tendency and include: minor poisoning: coagulation disturbance detected only by laboratory analysesmoderate poisoning: coagulation disturbance resulting in hematomata, hematuria, blood in feces or excessive bleeding from minor cuts or abrasions, gum bleedingsevere poisoning: retroperitoneal hemorrhage, severe GI bleeding, cerebrovascular accidents, massive hemorrhage (internal bleeding) resulting in shock. If anaemia or liver disease is present then the above features may be more severe and persistent and the poisoning may be more difficult to control. The onset of the signs of poisoning may not be evident until a few days after ingestion. /Anticoagulant rodenticides/
Populations at Special RiskSRP: Persons with bleeding disorders or who are taking anticoagulants should be protected from exposure.
Antidote and Emergency TreatmentHuman exposure to second-generation and indandione anticoagulants produces symptoms consistent with anticoagulation effects (e.g., hematomas, hematemesis, hematuria, easy bruisability). Treatment of cases of exposure, particularly of substantial and repeated exposure, may require vitamin K1 therapy and monitoring of prothrombin times for periods of many months.
UN-Transportnummer3027
Gefahrenklasse6.1(b)
VerpackungsgruppeIII
Gefahrstoffdaten83-28-3(Hazardous Substances Data)