Cas no 2756-56-1 (Isobornyl propanoate)
Isobornyl propanoate structure
Product Name:Isobornyl propanoate
CAS No:2756-56-1
MF:C13H22O2
MW:210.312584400177
CID:43391
PubChem ID:6432292
Update Time:2025-04-18
Isobornyl propanoate Chemical and Physical Properties
Names and Identifiers
-
- Isobornyl propanoate
- [(4R)-1,7,7-Trimethyl-5-bicyclo[2.2.1]heptanyl] propionate
- (4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) propanoate
- ISOBORNYL PROPIONATE
- 2-Bornyl propionate,exo
- 2-Camphanyl propionate,exo
- EINECS 220-410-5
- FEMA No. 2163
- Isoborneol,propionate
-
- Inchi： 1S/C13H22O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3/t9?,10-,13?/m0/s1
- InChI Key： FAFMZORPAAGQFV-QUNCOHTASA-N
- SMILES： O(C(CC)=O)[C@H]1CC2CCC1(C)C2(C)C
Computed Properties
- Exact Mass: 210.16200
- Monoisotopic Mass: 210.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 282
- 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: 26.3A^2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.6
Experimental Properties
- Color/Form: Colorless to yellowish liquid
- Density: 0.971?g/mL?at 25?°C(lit.)
- Boiling Point: 102?°C16?mm Hg(lit.)
- Flash Point: 211?°F
- Refractive Index: 1.460-1.466
- PSA: 26.30000
- LogP: 3.15440
- FEMA: 2163
Isobornyl propanoate Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
2756-56-1 (Isobornyl propanoate) Related Products
- 16409-46-4(2-Isopropyl-5-methylcyclohexyl 3-methylbutanoate)
- 220621-22-7(5-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)-5-oxopentanoic acid)
- 76-49-3(Bornyl acetate)
- 77341-67-4(4-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)-4-oxobutanoic acid)
- 20347-65-3((+)-Bornyl Acetate)
- 76-50-6(Bornyl isovalerate)
- 77-54-3((+)-cedryl acetate)
- 7779-73-9(Isobornyl isovalerate)
- 125-12-2(isobornyl acetate)
- 88-41-5(2-Tert-Butylcyclohexyl acetate)
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