Cas no 75684-65-0 (Cyclohexanol,2-methyl-5-(1-methylethenyl)-, acetate, (1S,2S,5S)-)
75684-65-0 structure
Product Name:Cyclohexanol,2-methyl-5-(1-methylethenyl)-, acetate, (1S,2S,5S)-
CAS No:75684-65-0
MF:C12H20O2
MW:196.286004066467
CID:559559
PubChem ID:23619656
Update Time:2025-04-19
Cyclohexanol,2-methyl-5-(1-methylethenyl)-, acetate, (1S,2S,5S)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanol,2-methyl-5-(1-methylethenyl)-, acetate, (1S,2S,5S)-
- (-)-DIHYDROCARVYL ACETATE
- DIHYDROCARVYLACETATE, (+)-(SG)
- DIHYDROCARVYL ACETATE, (+)-
- (+/-)-Dihydrocarveol acetate
- UNII-S68X88K6S1
- FEMA no. 2380, (+/-)-
- 75684-65-0
- NS00084658
- CYCLOHEXANOL, 2-METHYL-5-(1-METHYLETHENYL)-, ACETATE, (1S-(1.ALPHA.,2.BETA.,5.ALPHA.))-
- Q27288720
- S68X88K6S1
- (+)-dihydrocarvyl acetate
- Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1S-(1alpha,2beta,5alpha))-
- [(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate
- (+/-)-Dihydrocarvyl acetate
- (+)-DIHYDROCARVEOL ACETATE
- DTXSID70226598
- AKOS006294464
- Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, acetate, (1S,2S,5S)-
- FEMA NO. 2380, (+)-
- Dihydrocarvyl acetate, (+/-)-
-
- Inchi： 1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11-,12-/m0/s1
- InChI Key： TUSIZTVSUSBSQI-DLOVCJGASA-N
- SMILES： O(C(C)=O)[C@H]1C[C@@H](C(=C)C)CC[C@@H]1C
Computed Properties
- Exact Mass: 196.14600
- Monoisotopic Mass: 196.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 233
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.947?g/mL?at 20?°C(lit.)
- Boiling Point: 232-234?°C(lit.)
- Flash Point: 194?°F
- Refractive Index: n20/D 1.459(lit.)
- PSA: 26.30000
- LogP: 2.93040
Cyclohexanol,2-methyl-5-(1-methylethenyl)-, acetate, (1S,2S,5S)- Security Information
- WGK Germany：2
- Safety Instruction： S23; S24/25
- RTECS：OT0210000
Cyclohexanol,2-methyl-5-(1-methylethenyl)-, acetate, (1S,2S,5S)- Related Literature
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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