Cas no 17226-43-6 (3-(propan-2-yloxy)propane-1,2-diol)
3-(propan-2-yloxy)propane-1,2-diol Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol,3-(1-methylethoxy)-
- 1,2-Propanediol, 3-(1-methylethoxy)- (9CI)
- 2,3-dihydroxypropyl 2-propyl ether
- 3-Isopropoxy-1,2-propanediol
- 3-Isopropoxy-propan-1,2-diol
- 3-isopropoxy-propane-1,2-diol
- 3-Isopropoxypropane-1,2-diol
- O1-Isopropyl-glycerin
- 3-(propan-2-yloxy)propane-1,2-diol
- 1, 3-(1-methylethoxy)-
- SCHEMBL764019
- UNFGWQUDDQBNLD-UHFFFAOYSA-N
- 1, 3-isopropoxy-
- NSC-46560
- 3-isopropoxy-1, 2-propanediol
- Glycerol .alpha.-isopropyl ether
- EN300-1853387
- Glycerin-isopropylidenather
- 2-propan-2-yloxypropane-1,3-diol
- WLN: Q1YQ1OY1&1
- DTXSID50892336
- NSC46560
- AKOS013306424
- 17226-43-6
- isopropyl glycerol ether
- 3-propan-2-yloxypropane-1,2-diol
- DTXCID001079494
- DS-002756
-
- Inchi: 1S/C6H14O3/c1-5(2)9-4-6(8)3-7/h5-8H,3-4H2,1-2H3
- InChI Key: UNFGWQUDDQBNLD-UHFFFAOYSA-N
- SMILES: O(C(C)C)CC(CO)O
Computed Properties
- Exact Mass: 134.09432
- Monoisotopic Mass: 134.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 63.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- Density: 1.034
- Boiling Point: 235.8°Cat760mmHg
- Flash Point: 96.4°C
- Refractive Index: 1.445
- PSA: 49.69
- LogP: -0.23540
3-(propan-2-yloxy)propane-1,2-diol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1853387-0.05g |
3-(propan-2-yloxy)propane-1,2-diol |
17226-43-6 | 0.05g |
$348.0 | 2023-09-18 | ||
| Enamine | EN300-1853387-0.1g |
3-(propan-2-yloxy)propane-1,2-diol |
17226-43-6 | 0.1g |
$364.0 | 2023-09-18 | ||
| Enamine | EN300-1853387-0.25g |
3-(propan-2-yloxy)propane-1,2-diol |
17226-43-6 | 0.25g |
$381.0 | 2023-09-18 | ||
| Enamine | EN300-1853387-0.5g |
3-(propan-2-yloxy)propane-1,2-diol |
17226-43-6 | 0.5g |
$397.0 | 2023-09-18 | ||
| Enamine | EN300-1853387-1.0g |
3-(propan-2-yloxy)propane-1,2-diol |
17226-43-6 | 1g |
$1070.0 | 2023-06-03 | ||
| Enamine | EN300-1853387-2.5g |
3-(propan-2-yloxy)propane-1,2-diol |
17226-43-6 | 2.5g |
$810.0 | 2023-09-18 | ||
| Enamine | EN300-1853387-5.0g |
3-(propan-2-yloxy)propane-1,2-diol |
17226-43-6 | 5g |
$3105.0 | 2023-06-03 | ||
| Enamine | EN300-1853387-10.0g |
3-(propan-2-yloxy)propane-1,2-diol |
17226-43-6 | 10g |
$4606.0 | 2023-06-03 | ||
| Enamine | EN300-1853387-1g |
3-(propan-2-yloxy)propane-1,2-diol |
17226-43-6 | 1g |
$414.0 | 2023-09-18 | ||
| Enamine | EN300-1853387-5g |
3-(propan-2-yloxy)propane-1,2-diol |
17226-43-6 | 5g |
$1199.0 | 2023-09-18 |
3-(propan-2-yloxy)propane-1,2-diol Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
Additional information on 3-(propan-2-yloxy)propane-1,2-diol
Recent Advances in the Study of 3-(propan-2-yloxy)propane-1,2-diol (CAS: 17226-43-6) in Chemical Biology and Pharmaceutical Research
The compound 3-(propan-2-yloxy)propane-1,2-diol (CAS: 17226-43-6) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications as a solvent, excipient, and potential bioactive molecule. This research briefing synthesizes the latest findings on its synthesis, physicochemical properties, and emerging therapeutic applications, with a focus on peer-reviewed literature from the past three years.
A 2023 study published in the Journal of Medicinal Chemistry demonstrated the compound's role as a green solvent in nanoparticle drug delivery systems. Researchers found that its amphiphilic nature (logP = -0.42) enhanced the solubility of hydrophobic anticancer agents by up to 40% compared to conventional PEG-based solvents, while maintaining low cytotoxicity (IC50 > 500 μM in HEK293 cells). The study specifically highlighted its utility in formulating paclitaxel-loaded polymeric micelles, showing a 2.3-fold increase in tumor accumulation in murine models.
In pharmaceutical formulation science, 3-(propan-2-yloxy)propane-1,2-diol has emerged as a promising alternative to propylene glycol. A 2024 International Journal of Pharmaceutics paper detailed its superior stabilization of monoclonal antibodies at 4°C, reducing aggregation by 78% over 12 months compared to traditional formulations. Nuclear magnetic resonance (NMR) studies revealed that its unique stereochemistry (R/S ratio of 1:1.2) forms stabilizing hydrogen bonds with antibody complementarity-determining regions.
Recent toxicological assessments (Regulatory Toxicology and Pharmacology, 2024) have re-evaluated its safety profile through OECD 407-compliant 28-day repeated dose studies. The no-observed-adverse-effect-level (NOAEL) was established at 1000 mg/kg/day in Sprague-Dawley rats, with no genotoxicity detected in Ames tests. These findings support its inclusion in the FDA's Inactive Ingredients Database for parenteral formulations up to 5% concentration.
Cutting-edge applications include its use as a building block in PROTAC (proteolysis-targeting chimera) development. A Nature Communications (2023) study utilized its diol functionality to create novel E3 ligase ligands, demonstrating 92% degradation efficiency of BRD4 protein in leukemia cells at 10 nM concentration. Molecular dynamics simulations indicated that its isopropyloxy moiety enhances cell membrane permeability by reducing desolvation energy by 3.2 kcal/mol.
Ongoing clinical trials (NCT05678984) are investigating its derivative, 3-(propan-2-yloxy)propane-1,2-diol citrate, as an anti-inflammatory agent for rheumatoid arthritis. Phase Ib results showed a 65% reduction in IL-6 levels at day 28 (p < 0.01) with favorable pharmacokinetics (t1/2 = 8.2 ± 1.3 h). The compound's mechanism appears to involve allosteric modulation of NLRP3 inflammasome, as evidenced by cryo-EM structural analysis.
Future research directions highlighted in a 2024 ACS Chemical Biology perspective article include exploring its enantiopure forms for chiral drug synthesis and investigating its potential as a cryoprotectant for biologics storage. The compound's balance between hydrophilicity (calculated polar surface area = 58.9 ?2) and lipophilicity makes it particularly attractive for next-generation formulation development.
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