Cas no 118971-61-2 (Caffeic Acid 1,1-Dimethylallyl Ester)
118971-61-2 structure
Product Name:Caffeic Acid 1,1-Dimethylallyl Ester
CAS No:118971-61-2
MF:C14H16O4
MW:248.274444580078
CID:166141
PubChem ID:329755946
Update Time:2025-04-19
Caffeic Acid 1,1-Dimethylallyl Ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-(3,4-dihydroxyphenyl)-, 3-methyl-2-buten-1-yl ester, (2E)-
- Caffeic acid 1,1-dimethylallyl ester
- KAFFEESA URE-1,1-DIMETHYLALLYLESTER
- 1,1-Dimethylallyl caffeate,1,1-Dimethylallyl caffeic acid ester,3-Methyl-2-butenyl caffeate
- 3,3-dimethylallyl caffeate
- isopentenyl caffeate
- KAFFEESURE-1,1-DIMETHYLALLYLESTER
- prenyl caffeate
- C10487
- Caffeic acid 1,1-dimethylallyl ester
- KAFFEESA URE-1,1-DIMETHYLALLYLESTER >95% (HPLC)
- 1,1-Dimethylallyl caffeate, 1,1-Dimethylallyl caffeic acid ester, 3-Methyl-2-butenyl caffeate
- 100884-13-7
- 3-methylbut-2-enyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- Caffeic acid 1,1-dimethylallyl ester, analytical standard
- 3-Methyl-2-butenyl caffeate
- 1,1-Dacae
- Q27108066
- CHEBI:8393
- Cinnamic acid, 3,4-dihydroxy-, 3-methyl-2-butenyl ester
- SCHEMBL14461142
- Prenyl cis-caffeate
- J-003986
- CHEMBL471184
- 2-Propenoic acid,3-(3,4-dihydroxyphenyl)-,3-methyl-2-buten-1-yl ester,(2E)-
- 3-methylbut-2-enyl caffeate
- 1,1-Dimethylallyl caffeic acid ester
- 3-Methylbut-2-En-1-Yl (2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoate
- Prenyl cafeate
- Isoprenyl caffeate
- 118971-61-2
- BDBM50030893
- DB-257534
- (2E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-methyl-2-buten-1-yl ester
- Caffeic Acid 1,1-Dimethylallyl Ester
-
- MDL： MFCD09752935
- Inchi： 1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+
- InChI Key： TTYOHMFLCXENHR-GQCTYLIASA-N
- SMILES： O(C(/C=C/C1C=CC(=C(C=1)O)O)=O)C/C=C(\C)/C
Computed Properties
- Exact Mass: 248.10500
- Monoisotopic Mass: 248.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 329
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76000
- LogP: 2.62040
Caffeic Acid 1,1-Dimethylallyl Ester Security Information
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
Caffeic Acid 1,1-Dimethylallyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C080035-10mg |
Caffeic Acid 1,1-Dimethylallyl Ester |
118971-61-2 | 10mg |
$ 110.00 | 2023-04-18 | ||
| TRC | C080035-20mg |
Caffeic Acid 1,1-Dimethylallyl Ester |
118971-61-2 | 20mg |
$ 155.00 | 2023-04-18 | ||
| TRC | C080035-25mg |
Caffeic Acid 1,1-Dimethylallyl Ester |
118971-61-2 | 25mg |
$ 167.00 | 2023-04-18 | ||
| TRC | C080035-50mg |
Caffeic Acid 1,1-Dimethylallyl Ester |
118971-61-2 | 50mg |
$ 230.00 | 2023-04-18 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 40785-50MG |
Caffeic Acid 1,1-Dimethylallyl Ester |
118971-61-2 | analytical standard | 50MG |
￥2629.45 | 2022-02-23 | |
| TRC | C080035-250mg |
Caffeic Acid 1,1-Dimethylallyl Ester |
118971-61-2 | 250mg |
$ 800.00 | 2023-09-08 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-227562-50mg |
Caffeic acid 1,1-dimethylallyl ester, |
118971-61-2 | ≥97% | 50mg |
￥1218.00 | 2023-09-05 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-227562-50 mg |
Caffeic acid 1,1-dimethylallyl ester, |
118971-61-2 | ≥97% | 50mg |
￥1,218.00 | 2023-07-10 |
Caffeic Acid 1,1-Dimethylallyl Ester Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Coumaric acids and derivatives
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Coumaric acids and derivatives
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