Cas no 32815-92-2 (1,3-Pentanediol,2,2,4-trimethyl-, 1,3-dipropanoate)
32815-92-2 structure
Product Name:1,3-Pentanediol,2,2,4-trimethyl-, 1,3-dipropanoate
CAS No:32815-92-2
MF:C14H26O4
MW:258.353845119476
CID:307609
PubChem ID:122971
Update Time:2025-04-19
1,3-Pentanediol,2,2,4-trimethyl-, 1,3-dipropanoate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Pentanediol,2,2,4-trimethyl-, 1,3-dipropanoate
- 2,2,4-Trimethylpentane-1,3-diyl dipropionate
- (2,2,4-trimethyl-3-propanoyloxypentyl) propanoate
- DTXSID40954472
- NS00055434
- SCHEMBL3308842
- 32815-92-2
- 2,2,4-trimethylpentane-1,3-diyl dipropanoate
- EINECS 251-236-8
-
- Inchi： 1S/C14H26O4/c1-7-11(15)17-9-14(5,6)13(10(3)4)18-12(16)8-2/h10,13H,7-9H2,1-6H3
- InChI Key： BBXVZOFESFUKEH-UHFFFAOYSA-N
- SMILES： O(C(CC)=O)C(C(C)C)C(C)(C)COC(CC)=O
Computed Properties
- Exact Mass: 258.18318
- Monoisotopic Mass: 258.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 282
- 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: 3.5
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 0.966
- Boiling Point: 315.9°Cat760mmHg
- Flash Point: 144.4°C
- PSA: 52.6
1,3-Pentanediol,2,2,4-trimethyl-, 1,3-dipropanoate Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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