Cas no 39067-36-2 (3-Cyclohexene-1-carboxaldehyde,2,4-dimethyl-6-propyl-)
39067-36-2 structure
Product Name:3-Cyclohexene-1-carboxaldehyde,2,4-dimethyl-6-propyl-
CAS No:39067-36-2
MF:C12H20O
MW:180.286603927612
CID:311646
PubChem ID:162359
Update Time:2025-04-19
3-Cyclohexene-1-carboxaldehyde,2,4-dimethyl-6-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclohexene-1-carboxaldehyde,2,4-dimethyl-6-propyl-
- 2,4-dimethyl-6-propylcyclohex-3-ene-1-carbaldehyde
- DTXSID00865939
- NS00057651
- 39067-36-2
- 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-6-propyl-
- EINECS 254-267-5
-
- Inchi： 1S/C12H20O/c1-4-5-11-7-9(2)6-10(3)12(11)8-13/h6,8,10-12H,4-5,7H2,1-3H3
- InChI Key： BLTXEBUOKHGUGI-UHFFFAOYSA-N
- SMILES： O=CC1C(C)C=C(C)CC1CCC
Computed Properties
- Exact Mass: 180.1515
- Monoisotopic Mass: 180.151415
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 3
Experimental Properties
- Density: 0.908
- Boiling Point: 243°Cat760mmHg
- Flash Point: 83.7°C
- Refractive Index: 1.488
- PSA: 17.07
3-Cyclohexene-1-carboxaldehyde,2,4-dimethyl-6-propyl- Related Literature
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
-
Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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