Cas no 128347-64-8 (Benzoic acid,3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-,butyl ester)
![Benzoic acid,3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-,butyl ester structure](https://ossimg.kuujia.com/scimg/128500/128347-64-8x500.png)
128347-64-8 structure
Product Name:Benzoic acid,3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-,butyl ester
CAS No:128347-64-8
MF:C22H30O4
MW:358.471207141876
CID:227475
PubChem ID:182896
Update Time:2025-04-19
Benzoic acid,3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-,butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-,butyl ester
- Benzoic acid, 3-((((2-2,dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, butyl ester, (1R-trans)-
- DTXSID90926109
- Butyl 3-({[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carbonyl]oxy}methyl)benzoate
- 128347-64-8
-
- Inchi： 1S/C22H30O4/c1-6-7-11-25-20(23)17-10-8-9-16(13-17)14-26-21(24)19-18(12-15(2)3)22(19,4)5/h8-10,12-13,18-19H,6-7,11,14H2,1-5H3/t18-,19+/m1/s1
- InChI Key： OCPFEBJMPUQLNQ-MOPGFXCFSA-N
- SMILES： O(CC1C=CC=C(C(=O)OCCCC)C=1)C([C@@H]1[C@@H](/C=C(\C)/C)C1(C)C)=O
Computed Properties
- Exact Mass: 358.214
- Monoisotopic Mass: 358.214
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 10
- Complexity: 530
- 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: 6.5
- Topological Polar Surface Area: 52.6A^2
Experimental Properties
- Density: 1.087
- Boiling Point: 441.4°C at 760 mmHg
- Flash Point: 211.1°C
- Refractive Index: 1.546
Benzoic acid,3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-,butyl ester Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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