Linalyl Acetate
乙酸芳樟酯
PHY-NP-04231 · Natural product research catalog
| Catalog number | PHY-NP-04231 |
|---|---|
| CAS number | 115-95-7 |
| Molecular formula | C12H20O2 |
| Molecular weight | 196.29 g/mol |
| Chemical class | Monoterpenoids |
| Purity / assay | Confirmed in quotation and batch COA |
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| Pack | Price (USD) | Availability | Lead time |
|---|---|---|---|
| 5 mg | Request quote | To be confirmed | Confirm in quotation |
| 10 mg | Request quote | To be confirmed | Confirm in quotation |
| 20 mg | Request quote | To be confirmed | Confirm in quotation |
| 50 mg | Request quote | To be confirmed | Confirm in quotation |
| 100 mg | Request quote | To be confirmed | Confirm in quotation |
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Product information
Linalyl Acetate is listed in the Monoterpenoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.
For research use only. Not for human or veterinary use, diagnosis or treatment.
Names & identifiers
| IUPAC name | 3,7-dimethylocta-1,6-dien-3-yl acetate |
|---|---|
| SMILES | CC(=CCCC(C)(C=C)OC(=O)C)C |
| InChIKey | UWKAYLJWKGQEPM-UHFFFAOYSA-N |
| Subclass / scaffold | Acyclic monoterpenoids |
| PubChem CID | 8294 |
Computed properties & structure classification
| Exact mass (Da) | 196.1463 | Predicted LogP | 3.2406 |
|---|---|---|---|
| Predicted TPSA (Ų) | 26.3 | H-bond donors | 0 |
| H-bond acceptors | 2 | Rotatable bonds | 5 |
| Ring count | 0 | Aromatic rings | 0 |
| Fraction Csp³ | 0.583 | Synthetic accessibility score | 3.41 |
| QED score | 0.498 | Lipinski rule violations | 0 |
| NPClassifier pathway | Terpenoids | NPClassifier superclass | Monoterpenoids |
| NPClassifier class | Acyclic monoterpenoids | Parent SMILES | C=CC(C)(CCC=C(C)C)OC(C)=O |
| Parent formula | C12H20O2 | Parent molecular weight | 196.29 |
| Specified stereocenters | 0 | Unspecified stereocenters | 1 |
Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.
Reported natural occurrence
| Main reported source | Salvia sclarea |
|---|---|
| LOTUS / Wikidata species | Salvia sclarea(快乐鼠尾草)[5]；Salvia fruticosa[4]；Salvia officinalis(鼠尾草)[4]；Mentha aquatica(水薄荷)[3]；common myrtle(香桃木)[3]；Citrus reticulata(橘)[2]；Citrus × deliciosa(地中海红橘)[2]；Coriandrum sativum(芫荽)[2]；Elettaria cardamomum(小豆蔻)[2]；Lavandula angustifolia(狭叶薰衣草)[2]；Lavandula latifolia(宽叶薰衣草)[2]；Salvia tomentosa[2]；Satureja thymbra[2]；Thymus broussonetii[2]；Thymus zygioides[2]；… |
| Source families | Lamiaceae[47]；Rutaceae[15]；Myrtaceae[13]；Apiaceae[11]；Cupressaceae[9]；Asteraceae[8] |
| Genus / family records | Heterotropa[2]；Heterotropa(杜衡属)[2]；Apiaceae(伞形科)[1]；Juniperus(刺柏属)[1]；Lamiaceae(唇形科)[1]；Mentha(薄荷属)[1] |
| LOTUS species records | 134 |
| LOTUS reference records | 108 |
| COCONUT occurrence records | Acronychia laurifolia；Agave deserti；Aglaia pyramidata；Amphimedon terpenensis；Artemisia annua；Asclepias subulata；Ascocoryne sarcoides；Astilbe odontophylla；Barbarea vulgaris subsp. arcuata；Camellia sinensis；Celastrus monospermus；Citrus aurantifolia；Citrus aurantium；Citrus aurantium ssp.bergamia；Citrus aurantium var.amara；Citrus limon；Citrus maxima；Citrus medica；Citrus reticulata；Citrus vulgaris；Citrus × deliciosa；Conium maculatum；Cryptocarya triplinervis；Curcuma amanda Roxb；Daucus carota；Dendrophorbium amplexicaule；Dysidea villosa；Elettaria cardamomum；Euodia bodinieri；Euodia officinalis；… |
| COCONUT organism records | 91 |
| COCONUT identifier | CNP0150444.1 |
Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.
Structure resources
Structure files describe the catalog record. They are not COA, SDS or evidence of batch quality.
Documents & specifications
| Certificate of analysis (COA) | Batch-specific document pending; not available in this preview |
|---|---|
| Safety data sheet (SDS) | Not yet published |
| Storage / solubility | Product-specific conditions to be confirmed |
| Shipping | Confirmed with the quotation |
Request applicable documentation and handling information before ordering or use.