Cas no 10297-62-8 (Hexanoicacid, 3-hydroxy-3-propyl-, ethyl ester)
10297-62-8 structure
Product Name:Hexanoicacid, 3-hydroxy-3-propyl-, ethyl ester
CAS No:10297-62-8
MF:C11H22O3
MW:202.290584087372
CID:234998
PubChem ID:289244
Update Time:2025-04-19
Hexanoicacid, 3-hydroxy-3-propyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoicacid, 3-hydroxy-3-propyl-, ethyl ester
- ethyl 3-hydroxy-3-propylhexanoate
- (3-Hyroxy-3-n-propyl)-capronsaeureethylester
- 3.3-Dipropyl-hydracrylsaeure-aethylester
- 3-Hydroxy-3-propyl-capronsaeure-aethylester
- 3-hydroxy-3-propyl-hexanoic acid ethyl ester
- 3-Hydroxy-3-propyl-hexansaeure-aethylester
- 3-Hydroxy-3-propylhexansaeureethylester
- 3-n-Propyl-3-hydroxycapronsaeureethylester
- AC1L6B94
- AC1Q6512
- AG-J-21039
- AR-1I8856
- CTK4A1642
- NSC150930
- DTXSID10302426
- NSC-150930
- 10297-62-8
- AKOS011681687
-
- Inchi： 1S/C11H22O3/c1-4-7-11(13,8-5-2)9-10(12)14-6-3/h13H,4-9H2,1-3H3
- InChI Key： QEFTVACZHMUZLM-UHFFFAOYSA-N
- SMILES： OC(CC(=O)OCC)(CCC)CCC
Computed Properties
- Exact Mass: 202.15696
- Monoisotopic Mass: 202.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 0.958
- Boiling Point: 289.1°Cat760mmHg
- Flash Point: 111.8°C
- Refractive Index: 1.445
- PSA: 46.53
- LogP: 2.27090
Hexanoicacid, 3-hydroxy-3-propyl-, ethyl ester Related Literature
-
1. 1.5-Dienes from allylic alcohols and carbonyl compounds by successive Claisen rearrangement, Wittig reaction, and Cope rearrangement: an attempted synthesis of ‘propylure’Richard C. Cookson,Norman W. Hughes J. Chem. Soc. Perkin Trans. 1 1973 2738
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