Cas no 28823-42-9 (3-Methyl-2,4-hexadiene, mixture of isomers)
28823-42-9 structure
Product Name:3-Methyl-2,4-hexadiene, mixture of isomers
3-Methyl-2,4-hexadiene, mixture of isomers Chemical and Physical Properties
Names and Identifiers
-
- 3-Methyl-2,4-hexadiene, mixture of isomers
- 3-Methyl-2,4-hexadiene
- (2E,4E)-3-Methyl-2,4-hexadiene
- 3-Methyl-2,4-hexadien
- 3-methyl-2,4-hexadiene,(e)+(z)
- 3-methyl-hexa-2,4-diene
- (2E,4E)-3-methylhexa-2,4-diene
- KOXWOWPVSGRFCZ-YDFGWWAZSA-N
- 2,4-Hexadiene, 3-methyl-
- 3-Methyl-2,4-hexadiene, (E)+(Z)
- 28823-42-9
- AKOS025295060
- (2E, 4E)-3-methylhexa-2, 4-diene
- (2E,4E)-3-Methyl-2,4-hexadiene #
-
- Inchi： 1S/C7H12/c1-4-6-7(3)5-2/h4-6H,1-3H3/b6-4+,7-5+
- InChI Key： KOXWOWPVSGRFCZ-YDFGWWAZSA-N
- SMILES： C(/C)(=C/C)\C=C\C
Computed Properties
- Exact Mass: 96.09390
- Monoisotopic Mass: 96.0939
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 86.2
- 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
- Surface Charge: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: solid
- Density: 0.733
- Melting Point: Not available
- Boiling Point: 102.3°C at 760 mmHg
- Flash Point: 0.7°C
- Refractive Index: 1.438
- PSA: 0.00000
- LogP: 2.52870
- Solubility: Not determined
- Vapor Pressure: 39.2±0.1 mmHg at 25°C
3-Methyl-2,4-hexadiene, mixture of isomers Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazardous Material transportation number：UN 1993
- Hazard Category Code： 10
- Safety Instruction： 3/7-9-16
- Packing Group：III
- Risk Phrases：R10
- Packing Group：III
- HazardClass：3
- PackingGroup：III
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-Methyl-2,4-hexadiene, mixture of isomers Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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