Isophorone | CAS#78-59-1 | cyclic ketone

MedKoo Cat#: 591572 | Name: Isophorone

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Isophorone is an α, β-unsaturated cyclic ketone. It is a colorless liquid with a characteristic peppermint-like odor, although commercial samples can appear yellowish.

Chemical Structure

Isophorone

CAS#78-59-1

Theoretical Analysis

MedKoo Cat#: 591572

Name: Isophorone

CAS#: 78-59-1

Chemical Formula: C9H14O

Exact Mass: 138.1045

Molecular Weight: 138.21

Elemental Analysis: C, 78.21; H, 10.21; O, 11.58

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

No Data

Synonym

Isophorone; NSC 403657; NSC-403657; NSC403657

IUPAC/Chemical Name

3,5,5-Trimethyl-2-cyclohexen-1-one

InChi Key

HJOVHMDZYOCNQW-UHFFFAOYSA-N

InChi Code

InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3

SMILES Code

O=C1C=C(C)CC(C)(C)C1

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 138.21 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Hou Y, Ren S, Niu M, Wu W. Improvement of the selectivity of isophorone hydrogenation by Lewis acids. R Soc Open Sci. 2018 May 23;5(5):171523. doi: 10.1098/rsos.171523. eCollection 2018 May. PubMed PMID: 29892356; PubMed Central PMCID: PMC5990831. 2: Christensen PA, Mashhadani ZTAW, Md Ali AHB, Carroll MA, Martin PA. The Production of Methane, Acetone, "Cold" CO and Oxygenated Species from IsoPropyl Alcohol in a Non-Thermal Plasma: An In-Situ FTIR Study. J Phys Chem A. 2018 May 3;122(17):4273-4284. doi: 10.1021/acs.jpca.7b12297. Epub 2018 Apr 23. PubMed PMID: 29664640. 3: Hu J, Zhang X, Qu J. Investigation on the mechanical properties of polyurea (PU)/melamine formaldehyde (MF) microcapsules prepared with different chain extenders. J Microencapsul. 2018 May 2:1-10. doi: 10.1080/02652048.2018.1462414. [Epub ahead of print] PubMed PMID: 29630422. 4: Sereshti H, Ataolahi S, Aliakbarzadeh G, Zarre S, Poursorkh Z. Evaluation of storage time effect on saffron chemical profile using gas chromatography and spectrophotometry techniques coupled with chemometrics. J Food Sci Technol. 2018 Apr;55(4):1350-1359. doi: 10.1007/s13197-018-3046-9. Epub 2018 Jan 31. PubMed PMID: 29606749; PubMed Central PMCID: PMC5876203. 5: Liu Y, Sun D, Zhou J, Qin Y, Wang D, Guo B. Isophorone Diisocyanate: An Effective Additive to Form Cathode-Protective-Interlayer and Its Influence on LiNi(0.5)Co(0.2)Mn(0.3)O(2) at High Potential. ACS Appl Mater Interfaces. 2018 Apr 4;10(13):11305-11310. doi: 10.1021/acsami.8b00011. Epub 2018 Mar 22. PubMed PMID: 29547257. 6: Ma S, Zhang H, Sablong RJ, Koning CE, van Benthem RATM. t-Butyl-Oxycarbonylated Diamines as Building Blocks for Isocyanate-Free Polyurethane/Urea Dispersions and Coatings. Macromol Rapid Commun. 2018 May;39(9):e1800004. doi: 10.1002/marc.201800004. Epub 2018 Mar 8. PubMed PMID: 29516566. 7: Dandeniyage LS, Adhikari R, Bown M, Shanks R, Adhikari B, Easton CD, Gengenbach TR, Cookson D, Gunatillake PA. Morphology and surface properties of high strength siloxane poly(urethane-urea)s developed for heart valve application. J Biomed Mater Res B Appl Biomater. 2018 Mar 4. doi: 10.1002/jbm.b.34101. [Epub ahead of print] PubMed PMID: 29504237. 8: Liu J, Chen N, Yang J, Yang B, Ouyang Z, Wu C, Yuan Y, Wang W, Chen M. An integrated approach combining HPLC, GC/MS, NIRS, and chemometrics for the geographical discrimination and commercial categorization of saffron. Food Chem. 2018 Jul 1;253:284-292. doi: 10.1016/j.foodchem.2018.01.140. Epub 2018 Feb 2. PubMed PMID: 29502833. 9: Wiedmer C, Buettner A. Quantification of organic solvents in aquatic toys and swimming learning devices and evaluation of their influence on the smell properties of the corresponding products. Anal Bioanal Chem. 2018 Apr;410(10):2585-2595. doi: 10.1007/s00216-018-0929-6. Epub 2018 Feb 20. PubMed PMID: 29464272. 10: Dezvarei S, Lee JHZ, Bell SG. Stereoselective hydroxylation of isophorone by variants of the cytochromes P450 CYP102A1 and CYP101A1. Enzyme Microb Technol. 2018 Apr;111:29-37. doi: 10.1016/j.enzmictec.2018.01.002. Epub 2018 Jan 5. PubMed PMID: 29421034. 11: Arshad N, Zia KM, Jabeen F, Anjum MN, Akram N, Zuber M. Synthesis, characterization of novel chitosan based water dispersible polyurethanes and their potential deployment as antibacterial textile finish. Int J Biol Macromol. 2018 May;111:485-492. doi: 10.1016/j.ijbiomac.2018.01.032. Epub 2018 Jan 9. PubMed PMID: 29325747. 12: Hou G, Wang F, Qu Z, Cheng Z, Zhang Y, Cai S, Xie T, Feng X. Reversible Semicrystalline Polymer as Actuators Driven by Organic Solvent Vapor. Macromol Rapid Commun. 2018 Apr;39(7):e1700716. doi: 10.1002/marc.201700716. Epub 2018 Jan 4. PubMed PMID: 29314371. 13: Zhang Y, He X, Ding M, He W, Li J, Li J, Tan H. Antibacterial and Biocompatible Cross-Linked Waterborne Polyurethanes Containing Gemini Quaternary Ammonium Salts. Biomacromolecules. 2018 Feb 12;19(2):279-287. doi: 10.1021/acs.biomac.7b01016. Epub 2018 Jan 2. PubMed PMID: 29253335. 14: Huang KY, Wei DN, Fang JY, Li XY, Yan BJ. [Rapid determination of nine components in the first extraction process of Xingnaojing injection by using ultraviolet spectroscopy]. Zhongguo Zhong Yao Za Zhi. 2017 Oct;42(19):3755-3760. doi: 10.19540/j.cnki.cjcmm.20170907.015. Chinese. PubMed PMID: 29235291. 15: Lett LA, Stingone JA, Claudio L. The Combined Influence of Air Pollution and Home Learning Environment on Early Cognitive Skills in Children. Int J Environ Res Public Health. 2017 Oct 26;14(11). pii: E1295. doi: 10.3390/ijerph14111295. PubMed PMID: 29072589; PubMed Central PMCID: PMC5707934. 16: Vandenplas O, Rifflart C, Evrard G, Thimpont J, Seed M, Agius R. Occupational asthma caused by an epoxy amine hardener. Occup Med (Lond). 2017 Dec 30;67(9):722-724. doi: 10.1093/occmed/kqx151. PubMed PMID: 29040709. 17: Pang L, Gao Z, Feng H, Wang S, Ma R, Zhou B, Hu S, Jin K. Synthesis of a fluorescent ethyl cellulose membrane with application in monitoring 1-naphthylacetic acid from controlled release formula. Carbohydr Polym. 2017 Nov 15;176:160-166. doi: 10.1016/j.carbpol.2017.07.057. Epub 2017 Jul 24. PubMed PMID: 28927594. 18: Dandeniyage LS, Gunatillake PA, Adhikari R, Bown M, Shanks R, Adhikari B. Development of high strength siloxane poly(urethane-urea) elastomers based on linked macrodiols for heart valve application. J Biomed Mater Res B Appl Biomater. 2017 Aug 31. doi: 10.1002/jbm.b.33970. [Epub ahead of print] PubMed PMID: 28858405. 19: Fang J, Yang B, Ge Z, Bai X, Yan B. Single standard substance for the determination of nine volatile components in the distillate of Fructus Gardeniae and Radix Curcumae (an intermediate of Xingnaojing Injection). J Sep Sci. 2017 Oct;40(20):3946-3957. doi: 10.1002/jssc.201700593. Epub 2017 Aug 31. PubMed PMID: 28857420. 20: Liu W, Jiang Y, Dostert KH, O'Brien CP, Riedel W, Savara A, Schauermann S, Tkatchenko A. Catalysis beyond frontier molecular orbitals: Selectivity in partial hydrogenation of multi-unsaturated hydrocarbons on metal catalysts. Sci Adv. 2017 Jul 26;3(7):e1700939. doi: 10.1126/sciadv.1700939. eCollection 2017 Jul. PubMed PMID: 28782033; PubMed Central PMCID: PMC5529059.