Cas no 56172-46-4 (2-Butenoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester)
56172-46-4 structure
Product Name:2-Butenoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester
CAS No:56172-46-4
MF:C14H22O2
MW:222.323284626007
CID:367669
PubChem ID:5980396
Update Time:2025-04-19
2-Butenoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester
- (,E)-3,7-dimethyl-2,6-octadienyl 2-butenoate
- 3,7-dimethylocta-2,6-dienyl but-2-enoate
- GERANYL CROTONATE
- 3,7-dimethyl-, 2-butenoate, (e)-6-octadien-1-ol
- NSC-97417
- 3,7-Dimethyl-2-trans, 6-octadienyl crotonate
- Crotonic acid, geraniol ester
- 2-Butenoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
- 1033763-06-2
- DTXSID40866541
- NS00012496
- NSC97417
- SCHEMBL2125723
- AI3-04114
- 2-Butenoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
- Geranyl-2-butenoate
- 2-Butenoic acid, 3,7-dimethyl-2,6-octadienyl ester, (?,E)-
- (2E)-3,7-Dimethyl-2,6-octadien-1-yl (2E)-2-butenoate
- EINECS 260-027-0
- 2-Butenoic acid, 3,7-dimethyl-2,6-octadienyl ester
- SCHEMBL2125727
- 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, 2-BUTENOATE, (E)-
- NS00087715
- Geraniol crotonate
- trans-3,7-Dimethyl-2,6-octadien-1-ol, 2-butenoate
- 56172-46-4
-
- Inchi： 1S/C14H22O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h5,7-8,10H,6,9,11H2,1-4H3/b7-5+,13-10+
- InChI Key： MQTAGIYIVBMTBT-XZUSAQEFSA-N
- SMILES： O(C(/C=C/C)=O)C/C=C(\C)/CC/C=C(\C)/C
Computed Properties
- Exact Mass: 222.16200
- Monoisotopic Mass: 222.16198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 4.3
Experimental Properties
- Density: 1.0200 (rough estimate)
- Boiling Point: 303.51°C (rough estimate)
- Flash Point: 144.6°C
- Refractive Index: 1.4576 (estimate)
- PSA: 26.30000
- LogP: 3.79840
2-Butenoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
56172-46-4 (2-Butenoic acid,(2E)-3,7-dimethyl-2,6-octadien-1-yl ester) Related Products
- 16409-44-2(2,6-Octadien-1-ol,3,7-dimethyl-, 1-acetate)
- 7367-88-6(Ethyl 2-(E)-Decenoate)
- 1903-23-7(ethyl 2-cycloheptylideneacetate)
- 7367-82-0(trans-2-Octenoic acid ethyl ester)
- 1552-92-7(2-Cyclohexylidene-acetic Acid Ethyl Ester)
- 141-12-8(Neryl acetate)
- 10485-70-8(2,6,10-Dodecatrienoicacid, 3,7,11-trimethyl-, methyl ester)
- 1903-22-6(Ethyl 2-cyclopentylideneacetate)
- 27741-65-7(Ethyl 2-cyclobutylideneacetate)
- 15677-00-6(Ethyl-3-methyl-2-hexenoate)
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