Cas no 16509-46-9 (1,6-Octadien-3-ol,3,7-dimethyl-, 3-acetate, (3R)-)
16509-46-9 structure
Product Name:1,6-Octadien-3-ol,3,7-dimethyl-, 3-acetate, (3R)-
CAS No:16509-46-9
MF:C12H20O2
MW:196.286004066467
CID:219768
PubChem ID:442474
Update Time:2025-04-19
1,6-Octadien-3-ol,3,7-dimethyl-, 3-acetate, (3R)- Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Octadien-3-ol,3,7-dimethyl-, 3-acetate, (3R)-
- (-)-(R)-3-acetoxy-3,7-dimethylocta-1,6-diene
- (R)-linalyl acetate
- 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate, (3R)-
- Einecs 240-575-7
- laevo-linalyl acetate
- 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate, (3R)-
- CHEBI:78334
- J7C5I8LV3G
- SCHEMBL15745425
- LINALYL ACETATE R-FORM
- (-)-linalyl acetate
- R-(-)-LINALYL ACETATE
- 16509-46-9
- Q27147765
- Linalyl acetate, (-)-
- L-LINALYL ACETATE
- LMPR0102010009
- UNII-J7C5I8LV3G
- (3R)-3,7-dimethylocta-1,6-dien-3-yl acetate
- (+-)-3,7-dimethylocta-1,6-dien-3-yl acetate
- CHEBI:6469
- DTXSID801015440
- 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, ACETATE, (-)-
- rac-3,7-dimethylocta-1,6-dien-3-yl acetate
- NS00085599
- LINALYL ACETATE R-FORM [MI]
- 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate, (R)-
- [(3R)-3,7-dimethylocta-1,6-dien-3-yl] acetate
- C09863
-
- Inchi： 1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3/t12-/m0/s1
- InChI Key： UWKAYLJWKGQEPM-LBPRGKRZSA-N
- SMILES： O(C(C)=O)[C@](C=C)(C)CC/C=C(\C)/C
Computed Properties
- Exact Mass: 196.1464
- 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: 6
- Complexity: 237
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.8951
- Boiling Point: 220°C (estimate)
- Refractive Index: 1.4544 (estimate)
- PSA: 26.3
1,6-Octadien-3-ol,3,7-dimethyl-, 3-acetate, (3R)- Related Literature
-
Ping Chen,Bing Liu,Xin Liu,Jihong Fu Anal. Methods 2019 11 1541
-
Jihong Fu,Yan Zhu,Bing Liu,Jun Tang Anal. Methods 2018 10 652
-
Hadi Hajiali,Maria Summa,Debora Russo,Andrea Armirotti,Virgilio Brunetti,Rosalia Bertorelli,Athanassia Athanassiou,Elisa Mele J. Mater. Chem. B 2016 4 1686
-
Tom Vermeyen,Andrea N. L. Batista,Alessandra L. Valverde,Wouter Herrebout,Jo?o M. Batista Phys. Chem. Chem. Phys. 2023 25 13825
-
Dandan Li,Xinxing Jiang,Yaxue Zhang,Wenxia Xue,Jihong Fu Anal. Methods 2023 15 849
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Acyclic monoterpenoids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Acyclic monoterpenoids
- Natural Products and Extracts Plant Extracts Plant based Rhanterium epapposum
- Natural Products and Extracts Plant Extracts Plant based Pycnocycla spinosa
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