| Phytochemical Name : Neryl acetate |
| PCNDIDN0052 |
| Pubchem CID : 1549025 |
| Molecular formula: C12H20O2 |
| Canonical SMILES : CC(=CCCC(=CCOC(=O)C)C)C |
Synonymes : Neryl acetate|141-12-8|Nerol acetate|cis-Geranyl acetate|Neryl ethanoate|(Z)-3,7-Dimethylocta-2,6-dien-1-yl acetate|cis-3,7-Dimethyl-2,6-octadien-1-yl acetate|NSC-72031|FEMA No. 2773|Neryl acetate (natural)|UNII-OF82IJU18H|OF82IJU18H|cis-3,7-Dimethyl-2,6-octadien-1-ol acetate|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-|2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2Z)-|EINECS 205-459-2|[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate|BRN 1722814|AI3-35817|DTXSID2047068|3,7-Dimethyl-2,6-octadienyl acetate, (Z)-|CHEBI:141210|(2Z)-3,7-dimethylocta-2,6-dien-1-yl acetate|3,7-Dimethyl-2,6-octadien-1-yl acetate, cis-|2-02-00-00153 (Beilstein Handbook Reference)|3,7-Dimethyl-2,6-octadien-1-yl ethanoate, cis-|NERYLACETATE|3,7-Dimethyl-2Z,6-octadienyl acetate|Geranyl acetate, cis-|cis-1-acetoxy-3,7-dimethyl-2,6-octadiene|(2Z)-3,7-Dimethyl-2,6-octadienyl acetate|2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-|Nerol acetate (6CI)|MFCD00063205|Acetic acid neryl ester|NERYL ACETATE [FCC]|NERYL ACETATE [FHFI]|SCHEMBL236190|Neryl acetate, natural, 90%|CHEMBL2268549|DTXCID0027068|Neryl acetate, analytical standard|16409-44-2|NSC72031|Tox21_301974|BDBM50036947|LMFA07010194|s9373|Neryl acetate, >=98%, FCC, FG|AKOS016009834|2, 3,7-dimethyl-, acetate, (Z)-|CCG-266557|CS-W015699|HY-W014983|NCGC00256089-01|AS-68365|CAS-141-12-8|cis-1-acetoxy-3,7-dimethyl-octa-2,6-diene|N0463|(2Z)-3,7-Dimethyl-2,6-octadienyl acetate #|A885701|cis-3,7-Dimethyl-2,6-octadien-1-yl acetate, 98%|Q1368877|2,6-octadien-1-ol, 3,7-dimetil-, 1-acetato, (2z)-|130396-85-9 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.830 |
| Log Po/w (XLOGP3) : 4.040 |
| Log Po/w (WLOGP) : 3.240 |
| Log Po/w (MLOGP) : 2.950 |
| Log Po/w (SILICOS-IT) : 2.980 |
| Consensus Log Po/w : 3.210 |