Cas no 51546-61-3 (Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1S,2R,5S)-)
51546-61-3 structure
Product Name:Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1S,2R,5S)-
CAS No:51546-61-3
MF:C12H22O2
MW:198.301884174347
CID:373108
PubChem ID:89383
Update Time:2025-04-19
Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1S,2R,5S)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1S,2R,5S)-
- [1S-(1alpha,2alpha,5alpha)]-5-(isopropyl)-2-methylcyclohexyl acetate
- 5-Isopropyl-2-methylcyclohexyl acetate
- DTXSID50866198
- 2-methyl-5-(propan-2-yl)cyclohexyl acetate
- 20777-43-9
- (1)-(1alpha,2beta,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate
- EINECS 244-027-8
- 5-Isopropyl-2-methylcyclohexyl acetate #
- NSC404222
- 51547-99-0
- NS00089200
- (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate
- 7460-78-8
- Neocarvomenthyl acetate
- NSC-404222
- EINECS 257-268-9
- JAKFDYGDDRCJLY-UHFFFAOYSA-N
- SCHEMBL6716947
- Neoisocarvomenthyl acetate
- EINECS 257-265-2
- 51546-61-3
- NS00088164
-
- Inchi： 1S/C12H22O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3
- InChI Key： JAKFDYGDDRCJLY-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1CC(C(C)C)CCC1C
Computed Properties
- Exact Mass: 198.161979940g/mol
- Monoisotopic Mass: 198.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 199
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.6
- Topological Polar Surface Area: 26.3?2
Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1S,2R,5S)- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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
51546-61-3 (Cyclohexanol,2-methyl-5-(1-methylethyl)-, 1-acetate, (1S,2R,5S)-) Related Products
- 29066-34-0(menthyl acetate)
- 16409-46-4(2-Isopropyl-5-methylcyclohexyl 3-methylbutanoate)
- 76-49-3(Bornyl acetate)
- 77341-67-4(4-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)-4-oxobutanoic acid)
- 2623-23-6(Menthyl acetate)
- 77-54-3((+)-cedryl acetate)
- 89-48-5((±)-Menthyl Acetate)
- 5726-19-2(2-Methylcyclohexyl Acetate)
- 125-12-2(isobornyl acetate)
- 88-41-5(2-Tert-Butylcyclohexyl acetate)
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