Cas no 5341-76-4 (2-(methoxymethyl)-2,4-dimethylpentane-1,5-diol)
5341-76-4 structure
Product Name:2-(methoxymethyl)-2,4-dimethylpentane-1,5-diol
CAS No:5341-76-4
MF:C9H20O3
MW:176.253303527832
CID:1582160
PubChem ID:220007
Update Time:2025-04-21
2-(methoxymethyl)-2,4-dimethylpentane-1,5-diol Chemical and Physical Properties
Names and Identifiers
-
- 2-(methoxymethyl)-2,4-dimethylpentane-1,5-diol
- CTK4J7951
- AG-K-95902
- AR-1C9438
- 2-methoxymethyl-2,4-dimethyl-pentane-1,5-diol
- AC1Q4FHQ
- AC1L57Z3
- 2-Methoxymethyl-2,4-dimethyl-pentan-1,5-diol
- AC1Q7BJY
- NSC2142
- CTK4J7951; AG-K-95902; AR-1C9438; 2-methoxymethyl-2,4-dimethyl-pentane-1,5-diol; AC1Q4FHQ; AC1L57Z3; 2-Methoxymethyl-2,4-dimethyl-pentan-1,5-diol; AC1Q7BJY; NSC2142;
- AKOS024335059
- 2-(METHOXYMETHYL)-2,5-PENTANEDIOL
- 2-(METHOXYMETHYL)-2,4-DIMETHYL-1,5-PENTANEDIOL
- DTXSID70277383
- NSC-2142
- 5341-76-4
- SCHEMBL4426678
-
- Inchi： 1S/C9H20O3/c1-8(5-10)4-9(2,6-11)7-12-3/h8,10-11H,4-7H2,1-3H3
- InChI Key： KQWPPKFUTRANJS-UHFFFAOYSA-N
- SMILES： O(C)CC(C)(CO)CC(C)CO
Computed Properties
- Exact Mass: 176.1413
- Monoisotopic Mass: 176.141
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- Density: 0.985
- Boiling Point: 292.3°C at 760 mmHg
- Flash Point: 130.6°C
- Refractive Index: 1.454
- PSA: 49.69
- LogP: 0.64990
2-(methoxymethyl)-2,4-dimethylpentane-1,5-diol Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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