Cas no 51685-40-6 (1,6-Octadien-3-ol,3,7-dimethyl-, 3-acetate, (3S)-)
51685-40-6 structure
Product Name:1,6-Octadien-3-ol,3,7-dimethyl-, 3-acetate, (3S)-
CAS No:51685-40-6
MF:C12H20O2
MW:196.286004066467
CID:377524
PubChem ID:6999980
Update Time:2025-04-19
1,6-Octadien-3-ol,3,7-dimethyl-, 3-acetate, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Octadien-3-ol,3,7-dimethyl-, 3-acetate, (3S)-
- (+)-1,5-Dimethyl-1-vinylhex-4-enyl acetate
- 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate, (3S)-
- Linalyl acetate, (+)-
- SCHEMBL15745424
- (3S)-3,7-dimethylocta-1,6-dien-3-yl acetate
- S-(+)-LINALYL ACETATE
- UNII-3ID3M89AV9
- [(3S)-3,7-dimethylocta-1,6-dien-3-yl] acetate
- CHEBI:78335
- 3ID3M89AV9
- Q27147766
- (+)-linalyl acetate
- (s)-linalyl acetate
- 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, 3-ACETATE, (3S)-
- EINECS 257-347-8
- 51685-40-6
- 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, ACETATE, (S)-
-
- 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-/m1/s1
- InChI Key： UWKAYLJWKGQEPM-GFCCVEGCSA-N
- SMILES： O(C(C)=O)[C@@](C=C)(C)CC/C=C(\C)/C
Computed Properties
- Exact Mass: 196.1464
- Monoisotopic Mass: 196.14633
- 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: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 3.3
Experimental Properties
- Density: 1.459
- Boiling Point: 407.7°Cat760mmHg
- Flash Point: 200.3°C
- PSA: 26.3
1,6-Octadien-3-ol,3,7-dimethyl-, 3-acetate, (3S)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
51685-40-6 (1,6-Octadien-3-ol,3,7-dimethyl-, 3-acetate, (3S)-) Related Products
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