Cas no 18618-89-8 (Butanoic acid,2-ethyl-3-hydroxyhexyl ester)
18618-89-8 structure
Product Name:Butanoic acid,2-ethyl-3-hydroxyhexyl ester
CAS No:18618-89-8
MF:C12H24O3
MW:216.317164421082
CID:234484
PubChem ID:347867
Update Time:2025-04-19
Butanoic acid,2-ethyl-3-hydroxyhexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-ethyl-3-hydroxyhexyl ester
- (2-ethyl-3-hydroxyhexyl) butanoate
- 2-Aethyl-1-butyryloxy-hexan-3-ol
- 2-Ethyl-1,3-hexanediol monobutyrate
- 2-ethylhexane-1,3-diol monobutyrate
- AC1L88AH
- Buttersaeure-(2-aethyl-3-hydroxy-hexylester)
- butyric acid-(2-ethyl-3-hydroxy-hexyl ester)
- LS-75102
- NSC406770
- Butyric acid, 2-ethylhexane-1,3-diol monoester
- DTXSID80324453
- 1,3-Hexanediol, 2-ethyl-, monobutyrate (ester)
- NIOSH/MO2680000
- 2-Ethyl-1,3-hexanediol monobutyrate (ester)
- NSC-406770
- 18618-89-8
- 2-Ethyl-3-hydroxyhexyl butanoate
- MO26800000
- SCHEMBL3863847
- 2-ethyl-3-hydroxyhexyl butyrate
-
- Inchi： 1S/C12H24O3/c1-4-7-11(13)10(6-3)9-15-12(14)8-5-2/h10-11,13H,4-9H2,1-3H3
- InChI Key： LDXCVXVVGCHCKA-UHFFFAOYSA-N
- SMILES： OC(CCC)C(COC(CCC)=O)CC
Computed Properties
- Exact Mass: 216.17262
- Monoisotopic Mass: 216.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 168
- 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: 2.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
- LogP: 2.51690
Butanoic acid,2-ethyl-3-hydroxyhexyl ester Related Literature
-
Chao Xiong,Ning Liang,Hualiang An,Xinqiang Zhao,Yanji Wang RSC Adv. 2015 5 103523
-
Ning Liang,Xiaolong Zhang,Hualiang An,Xinqiang Zhao,Yanji Wang Green Chem. 2015 17 2959
-
3. Solvent and ion-pair effects on the self-condensation of linear aliphatic aldehydes: selective synthesis of substituted acrylaldehydes and glycol monoestersGiuseppe Casnati,Andrea Pochini,Giuseppe Salerno,Rocco Ungaro J. Chem. Soc. Perkin Trans. 1 1975 1527
18618-89-8 (Butanoic acid,2-ethyl-3-hydroxyhexyl ester) Related Products
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- 89457-29-4(Butanoic acid, 2-ethyl-, 3-hydroxybutyl ester)
- 85508-25-4(Butanoic acid,3-hydroxy-2,2-dimethylhexyl ester)
- 61286-42-8(Hexanedioic acid, 2-ethylhexyl 3-methoxybutyl ester)
- 89457-32-9(Hexanoic acid, 2-ethyl-, 3-hydroxybutyl ester)
- 61097-27-6(Octanoic acid, 4-butyl-3-hydroxy-, ethyl ester)
- 61097-25-4(Hexanoic acid, 4-ethyl-3-hydroxy-, ethyl ester)
- 61097-24-3(Heptanoic acid, 3-hydroxy-4-methyl-, ethyl ester)
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