Linalyl acetate structure
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Common Name | Linalyl acetate | ||
|---|---|---|---|---|
| CAS Number | 115-95-7 | Molecular Weight | 196.286 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 220.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C12H20O2 | Melting Point | 85°C | |
| MSDS | Chinese USA | Flash Point | 90.0±0.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of Linalyl acetateLinalyl acetate is the principal components of many plant essential oils with potentially anti-inflammatory activity[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (R)-linalyl acetate |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Linalyl acetate is the principal components of many plant essential oils with potentially anti-inflammatory activity[1]. |
|---|---|
| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 220.0±0.0 °C at 760 mmHg |
| Melting Point | 85°C |
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.286 |
| Flash Point | 90.0±0.0 °C |
| Exact Mass | 196.146332 |
| PSA | 26.30000 |
| LogP | 3.83 |
| Vapour density | 6.8 (vs air) |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.452 |
| InChIKey | UWKAYLJWKGQEPM-UHFFFAOYSA-N |
| SMILES | C=CC(C)(CCC=C(C)C)OC(C)=O |
| Storage condition | 2-8°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R38 |
| Safety Phrases | S26-S36-S37 |
| RIDADR | NA 1993 / PGIII |
| WGK Germany | 1 |
| RTECS | RG5910000 |
| HS Code | 2915390090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2915390090 |
|---|---|
| Summary | 2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Role of D-Limonene in autophagy induced by bergamot essential oil in SH-SY5Y neuroblastoma cells.
PLoS ONE 9(11) , e113682, (2014) Bergamot (Citrus bergamia, Risso et Poiteau) essential oil (BEO) is a well characterized, widely used plant extract. BEO exerts anxiolytic, analgesic and neuroprotective activities in rodents through ... |
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Fumigant toxicity and acetylcholinesterase inhibitory activity of 4 Asteraceae plant essential oils and their constituents against Japanese termite (Reticulitermes speratus Kolbe).
Pestic. Biochem. Physiol. 113 , 55-61, (2014) This study investigated the fumigant toxicity of 4 Asteraceae plant essential oils and their constituents against the Japanese termite Reticulitermes speratus Kolbe. Fumigant toxicity varied with plan... |
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Vine-shoot waste aqueous extracts for re-use in agriculture obtained by different extraction techniques: phenolic, volatile, and mineral compounds.
J. Agric. Food Chem. 62(45) , 10861-72, (2014) Vine-shoots are an important waste in all viticulture areas that should be re-used with innovative applications. The aim of this work was to produce Airén waste vine-shoot aqueous extracts by four sol... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (±)-linalyl acetate |
| 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate |
| (±)-1,5-dimethyl-1-vinylhex-4-enyl acetate |
| 1,5-dimethyl-1-vinylhex-4-en-1-yl acetate |
| 3,7-Dimethyl-1,6-octadien-3-yl acetate |
| 3,7-dimethylocta-1,6-dien-3-yl acetate |
| EINECS 204-116-4 |
| MFCD00008907 |
| Linalyl acetate,synthetic |
| 1,5-Dimethyl-1-ethenylhex-4-enyl acetate |
| Linalyl acetate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of (R)-linalyl acetate? |
| A: SMILES notation of (R)-linalyl acetate is C=CC(C)(CCC=C(C)C)OC(C)=O. |
| Q: What is the CAS number of (R)-linalyl acetate? |
| A: CAS number of (R)-linalyl acetate is 115-95-7. |
| Q: What is the safety information for (R)-linalyl acetate? |
| A: Safety information for (R)-linalyl acetate: S26-S36-S37. |
| Q: What is the melting point of (R)-linalyl acetate? |
| A: Melting point of (R)-linalyl acetate is 85°C. |
| Q: What is the molecular weight of (R)-linalyl acetate? |
| A: Molecular weight of (R)-linalyl acetate is 196.286. |
| Q: What are the downstream products of (R)-linalyl acetate? |
| A: Related downstream products(CAS) of (R)-linalyl acetate: 470-67-7;7392-19-0;543-39-5;99-86-5;5986-38-9;99-85-4;23959-82-2;78-70-6;106-24-1;61434-50-2. |
| Q: What is the InChIKey of (R)-linalyl acetate? |
| A: InChIKey of (R)-linalyl acetate is UWKAYLJWKGQEPM-UHFFFAOYSA-N. |
| Q: What is the English name of (R)-linalyl acetate? |
| A: The English name of (R)-linalyl acetate is (R)-linalyl acetate. |
| Q: What are the storage conditions for (R)-linalyl acetate? |
| A: Storage conditions for (R)-linalyl acetate: 2-8°C. |
| Q: What is the molecular formula of (R)-linalyl acetate? |
| A: Molecular formula of (R)-linalyl acetate is C12H20O2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |