Cas no 51221-81-9 (2,6-Heptadienal, 3-methyl-)
2,6-Heptadienal, 3-methyl- structure
Product Name:2,6-Heptadienal, 3-methyl-
CAS No:51221-81-9
MF:C8H12O
MW:124.180282592773
CID:362914
PubChem ID:54261786
Update Time:2025-04-19
2,6-Heptadienal, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Heptadienal, 3-methyl-
- 3-methylhepta-2,6-dienal
- 51221-81-9
- DTXSID10710128
-
- Inchi： 1S/C8H12O/c1-3-4-5-8(2)6-7-9/h3,6-7H,1,4-5H2,2H3
- InChI Key： REAMCSFHUFZAHX-UHFFFAOYSA-N
- SMILES： O=CC=C(C)CCC=C
Computed Properties
- Exact Mass: 124.08886
- Monoisotopic Mass: 124.088815002g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 123
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2,6-Heptadienal, 3-methyl- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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