Cas no 115809-84-2 (Benzoic acid,3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-,ethyl ester)
![Benzoic acid,3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-,ethyl ester structure](https://ossimg.kuujia.com/scimg/116000/115809-84-2x500.png)
115809-84-2 structure
Product Name:Benzoic acid,3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-,ethyl ester
CAS No:115809-84-2
MF:C20H26O4
MW:330.418046474457
CID:189380
PubChem ID:189323
Update Time:2025-04-19
Benzoic acid,3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-,ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-,ethyl ester
- 115809-84-2
- DTXSID70921814
- Benzoic acid, 3-((((2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)carbonyl)oxy)methyl)-, ethyl ester, (1R-trans)-
- Ethyl 3-({[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carbonyl]oxy}methyl)benzoate
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- Inchi： 1S/C20H26O4/c1-6-23-18(21)15-9-7-8-14(11-15)12-24-19(22)17-16(10-13(2)3)20(17,4)5/h7-11,16-17H,6,12H2,1-5H3/t16-,17+/m1/s1
- InChI Key： ORDHLOWPQKUSIH-SJORKVTESA-N
- SMILES： O(CC1C=CC=C(C(=O)OCC)C=1)C([C@@H]1[C@@H](/C=C(\C)/C)C1(C)C)=O
Computed Properties
- Exact Mass: 330.183
- Monoisotopic Mass: 330.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 8
- Complexity: 502
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.114
- Boiling Point: 414.2°C at 760 mmHg
- Flash Point: 198.4°C
- Refractive Index: 1.555
Benzoic acid,3-[[[[(1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]carbonyl]oxy]methyl]-,ethyl ester Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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