Cas no 10141-07-8 (2-Butenoic acid,2-butenylidene ester, (E,E,E)- (8CI,9CI))
10141-07-8 structure
Product Name:2-Butenoic acid,2-butenylidene ester, (E,E,E)- (8CI,9CI)
CAS No:10141-07-8
MF:C12H16O4
MW:224.253044128418
CID:164781
PubChem ID:6433527
Update Time:2025-04-19
2-Butenoic acid,2-butenylidene ester, (E,E,E)- (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Butenoic acid,2-butenylidene ester, (E,E,E)- (8CI,9CI)
- [(E)-1-[(E)-but-2-enoyl]oxybut-2-enyl] (E)-but-2-enoate
- Di[(E)-2-butenoic acid](E)-2-buten-1-ylidene ester
- 1,1-bis-trans-crotonoyloxy-but-2t-ene
- 2-Butenylidene crotonate
- AC1O5GDJ
- BRN 1708973
- CROTONIC ACID, 2-BUTENYLIDENE ESTER
- Crotylidene dicrotonate
- LS-55556
- 4-02-00-01505 (Beilstein Handbook Reference)
- 10141-07-8
- DTXSID101030172
- 2-Butenoic acid, 2-butenylidene ester, (E,E,E)-
-
- Inchi： 1S/C12H16O4/c1-4-7-10(13)15-12(9-6-3)16-11(14)8-5-2/h4-9,12H,1-3H3/b7-4+,8-5+,9-6+
- InChI Key： BADIPRCUJPQNIE-OTWDQPKHSA-N
- SMILES： O(C(/C=C/C)=O)C(/C=C/C)OC(/C=C/C)=O
Computed Properties
- Exact Mass: 224.10488
- Monoisotopic Mass: 224.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 287
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.0435 (rough estimate)
- Boiling Point: 285.65°C (rough estimate)
- Refractive Index: 1.4560 (estimate)
- PSA: 52.6
2-Butenoic acid,2-butenylidene ester, (E,E,E)- (8CI,9CI) Security Information
- Safety Term：Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
2-Butenoic acid,2-butenylidene ester, (E,E,E)- (8CI,9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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