Cas no 138-23-8 (Propanoic acid,2-methyl-, 3,7-dimethyl-7-octen-1-yl ester)
138-23-8 structure
Product Name:Propanoic acid,2-methyl-, 3,7-dimethyl-7-octen-1-yl ester
Propanoic acid,2-methyl-, 3,7-dimethyl-7-octen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-methyl-, 3,7-dimethyl-7-octen-1-yl ester
- 3,7-dimethyloct-7-enyl 2-methylpropanoate
- RHODINYL ISOBUTYRATE
- 3,7-Dimethyl-7-octen-1-yl 2-methylpropionate
- 3,7-Dimethyl-7-octen-1-yl isobutyrate
- 3,7-Dimethyl-7-octenyl 2-methylpropanoate
- 3,7-Dimethyloct-7-enyl isobutyrate
- EINECS 205-318-5
- Isobutyric acid,3,7-dimethyl-7-octenyl ester
- PROPANOIC ACID,2-METHYL-,3,7-DIMETHYL-7-OCTENYL ESTER
- Rhodinyl 2-methylpropanoate
- FEMA 2313
- CITRONELLYL ISOBUTYRATE
- CITRONELLYL 2-METHYLPROPIONATE
- 3,7-Dimethyloct-7-enylisobutyrat
- 3,7-DIMETHYL-6-OCTEN-1-YL ISOBUTYRATE
- 6-OCTEN-1-OL, 3,7-DIMETHYL:ISOBUTYRATE
- 3,7-DIMETHYL-6-OCTEN-1-YL-2-METHYL PROPANOATE
- 2-Methylpropanoic acid 3,7-dimethyl-7-octenyl ester
- Rhodinyl isobutyrate, (+/-)-
- DTXSID40861798
- (+/-)-rhodinyl isobutyrate
- PROPANOIC ACID, 2-METHYL-, 3,7-DIMETHYL-7-OCTENYL ESTER
- 138-23-8
- LMFA07011013
- Propanoic acid, 2-methyl-, 3,7-dimethyl-7-octen-1-yl ester
- 2,6-Dimethyl-1-octen-8-yl isobutyrate
- Isobutyric acid, 3,7-dimethyl-7-octenyl ester
- SCHEMBL3504497
- FEMA 2983
- NS00013176
- 3,7-dimethyloct-7-en-1-yl 2-methylpropanoate
- UNII-MPU705W90M
- MPU705W90M
- CHEBI:171861
- Q27284164
-
- Inchi： 1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h12-13H,1,6-10H2,2-5H3
- InChI Key： KHCGLDOOFYZQKU-UHFFFAOYSA-N
- SMILES： O(C(C(C)C)=O)CCC(C)CCCC(=C)C
Computed Properties
- Exact Mass: 226.19300
- Monoisotopic Mass: 226.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 219
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 5.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.875?g/mL?at 25?°C(lit.)
- Boiling Point: 253?°C(lit.)
- Flash Point: >230?°F
- Refractive Index: n20/D 1.442(lit.)
- PSA: 26.30000
- LogP: 3.95820
- FEMA: 2983 | RHODINYL ISOBUTYRATE
Propanoic acid,2-methyl-, 3,7-dimethyl-7-octen-1-yl ester Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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