1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one - ≥95% , CAS No.1195-79-5

CAS: 1195-79-5 Cat. No.: T693572 Peso molecular: 152.23 Número EC: 214-804-6
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
T693572-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

160,90US$

187,90US$
Guardar 27,00 US$ (14.37%)
5g
T693572-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
658,90US$
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasCC1(C2CCC(C2)(C1=O)C)C
IUPAC Name1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
InChIKeyLHXDLQBQYFFVNW-UHFFFAOYSA-N
INCHI1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
Isómeros SMILES CC1(C2CCC(C2)(C1=O)C)C
Peso molecular 152.23
Reaxy-Rn 1861492
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1861492&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

Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Spodoptera littoralis (798 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Myzus persicae (1112 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular152.230 g/mol
XLogP32.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass152.12 Da
Monoisotopic Mass152.12 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity217.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Li Cui, Yongzhi Hua, Shuting Zou, Chao Gu, Hui Li.  (2023)  Combination of fenchone and sodium hyaluronate ameliorated constipation-predominant irritable bowel syndrome and underlying mechanisms.  Chemical Biology & Drug Design,      [PMID:38030381] [10.1111/cbdd.14397]
2. Yajian Wu, Runhu Xin, Miao Liang, Wei Guan, Rui Wang, Zhiwei Miao, Yuping Liu.  (2024)  Characterization of the key odorants in Amomum tsao-ko cobs by sensory directed flavor analysis.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.111034]
Calculadoras de soluciones
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