Cas no 1612-03-9 (Benzene,(3-methyl-1-butyn-1-yl)-)
1612-03-9 structure
Product Name:Benzene,(3-methyl-1-butyn-1-yl)-
Benzene,(3-methyl-1-butyn-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,(3-methyl-1-butyn-1-yl)-
- (3-Methylbut-1-yn-1-yl)benzene
- 1-Phenyl-3-methyl-1-butyne
- Benzene, (3-methyl-1-butynyl)-
- Isopropyl-phenyl-acetylene
- ghl.PD_Mitscher_leg0.477
- 1612-03-9
- DTXSID40167085
- InChI=1/C11H12/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,1-2H
-
- Inchi： 1S/C11H12/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,1-2H3
- InChI Key： ZSSKQAZGJBLRRM-UHFFFAOYSA-N
- SMILES： C(C#CC1C=CC=CC=1)(C)C
Computed Properties
- Exact Mass: 144.09396
- Monoisotopic Mass: 144.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.92
- Boiling Point: 215.2°Cat760mmHg
- Flash Point: 80.1°C
- Refractive Index: 1.525
- PSA: 0
Benzene,(3-methyl-1-butyn-1-yl)- Related Literature
-
Francisco Esteban,Lazhar Boughani,José L. García Ruano,Alberto Fraile,José Alemán Org. Biomol. Chem. 2017 15 3901
-
Poomsith Thangsan,Thanya Rukkijakan,Bongkotrat Thanaussavadate,Kanyapat Yiamsawat,Jakkapan Sirijaraensre,Kevin P. Gable,Pitak Chuawong Org. Biomol. Chem. 2023 21 1501
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