Cas no 121325-68-6 (2-Butenedial,2-(4-methyl-3-penten-1-yl)-, (2E)-)
121325-68-6 structure
Product Name:2-Butenedial,2-(4-methyl-3-penten-1-yl)-, (2E)-
CAS No:121325-68-6
MF:C10H14O2
MW:166.216963291168
CID:195361
PubChem ID:6442437
Update Time:2025-04-19
2-Butenedial,2-(4-methyl-3-penten-1-yl)-, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedial,2-(4-methyl-3-penten-1-yl)-, (2E)-
- (E)-2-(4-methylpent-3-enyl)but-2-enedial
- alpha-(E)-Acaridial
- 121325-68-6
- SCHEMBL1301033
- 2-Butenedial, 2-(4-methyl-3-pentenyl)-, (E)-
- 2(e)-(4-methyl-3-pentenyl)-butenedial
- alpha-Acaridial
-
- Inchi： 1S/C10H14O2/c1-9(2)4-3-5-10(8-12)6-7-11/h4,6-8H,3,5H2,1-2H3/b10-6+
- InChI Key： RZUYNBNUYOKGPO-UXBLZVDNSA-N
- SMILES： O=C/C(=C/C=O)/CC/C=C(\C)/C
Computed Properties
- Exact Mass: 166.09942
- Monoisotopic Mass: 166.09938
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 208
- 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: 34.1
- XLogP3: 1.7
Experimental Properties
- Density: 0.949
- Boiling Point: 281.5°Cat760mmHg
- Flash Point: 104.7°C
- Refractive Index: 1.466
- PSA: 34.14
2-Butenedial,2-(4-methyl-3-penten-1-yl)-, (2E)- Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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