Cas no 25409-08-9 (Hexanal, 2-ethylidene-)
Hexanal, 2-ethylidene- structure
Product Name:Hexanal, 2-ethylidene-
CAS No:25409-08-9
MF:C8H14O
MW:126.196162700653
CID:259632
PubChem ID:6540477
Update Time:2025-04-19
Hexanal, 2-ethylidene- Chemical and Physical Properties
Names and Identifiers
-
- Hexanal, 2-ethylidene-
- 2-butyl-2-butenal
- (2Z)-2-ethylidenehexanal
- 2-Ethylidenehexanal
- 2-Ethylidinehexanal
- FEMA No. 3392
- 25409-08-9
- (2Z)-2-butyl-2-butenal
- P753D0PG2O
- HEXANAL, 2-ETHYLIDENE-, (2Z)-
- Q27286312
- 2-Butylbut-2-enal
- 2-ETHYLIDENEHEXANAL, (2Z)-
- 2-Butyl-2-butenal, (2Z)-
-
- Inchi： 1S/C8H14O/c1-3-5-6-8(4-2)7-9/h4,7H,3,5-6H2,1-2H3/b8-4-
- InChI Key： RAPHJZMCZKGDSB-YWEYNIOJSA-N
- SMILES： O=C/C(=C\C)/CCCC
Computed Properties
- Exact Mass: 126.10452
- Monoisotopic Mass: 126.104465
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 103
- 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
- Topological Polar Surface Area: 17.1
- XLogP3: 2.4
Experimental Properties
- Density: 0.833
- Boiling Point: 182.6°Cat760mmHg
- Flash Point: 50.9°C
- Refractive Index: 1.431
- PSA: 17.07
- FEMA: 3392 | 2-BUTYL-2-BUTENAL
Hexanal, 2-ethylidene- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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