Pulegone structure
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Common Name | Pulegone | ||
|---|---|---|---|---|
| CAS Number | 89-82-7 | Molecular Weight | 152.233 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 224.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C10H16O | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 82.2±0.0 °C | |
| Symbol |
GHS07, GHS08 |
Signal Word | Warning | |
Use of PulegonePulegone, the major chemical constituent of Calamintha nepeta (L.) Savi essential oil which is an aromatic herb with a mint-oregano flavor, is one of avian repellents[1]. The molecular target for the repellent action of Pulegone in avian species is nociceptive TRP ankyrin 1 (TRPA1). Pulegone stimulates both TRPM8 and TRPA1 channel in chicken sensory neurons and suppresses the former but not the latter at high concentrations[2]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (+)-pulegone |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Pulegone, the major chemical constituent of Calamintha nepeta (L.) Savi essential oil which is an aromatic herb with a mint-oregano flavor, is one of avian repellents[1]. The molecular target for the repellent action of Pulegone in avian species is nociceptive TRP ankyrin 1 (TRPA1). Pulegone stimulates both TRPM8 and TRPA1 channel in chicken sensory neurons and suppresses the former but not the latter at high concentrations[2]. |
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| 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 | 224.0±0.0 °C at 760 mmHg |
| Molecular Formula | C10H16O |
| Molecular Weight | 152.233 |
| Flash Point | 82.2±0.0 °C |
| Exact Mass | 152.120117 |
| PSA | 17.07000 |
| LogP | 2.56 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.470 |
| InChIKey | NZGWDASTMWDZIW-MRVPVSSYSA-N |
| SMILES | CC(C)=C1CCC(C)CC1=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, GHS08 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H351-H412 |
| Precautionary Statements | P273-P301 + P312 + P330 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | R22 |
| Safety Phrases | S23-S24/25 |
| RIDADR | 2810 |
| WGK Germany | 3 |
| RTECS | OT0261000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 2914299000 |
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 9 | |
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| DownStream 9 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914299000 |
|---|---|
| Summary | 2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . 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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R(+)-pulegone impairs Ca²+ homeostasis and causes negative inotropism in mammalian myocardium.
Eur. J. Pharmacol. 672(1-3) , 135-42, (2011) The present study aimed to investigate the inotropic effects of R(+)-pulegone, a monoterpene found in plant species belonging to the genus Mentha, on the mammalian heart. In electrically stimulated gu... |
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Synthesis of (R)-(+)-4-methylcyclohex-2-ene-1-one.
J. Org. Chem. 77(20) , 9422-5, (2012) A three-step synthesis of (R)-(+)-4-methylcyclohex-2-ene-1-one (1) from (R)-(+)-pulegone (3), proceeding in 44% overall yield, is described. The sequence comprises vinyl triflate formation, site-selec... |
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Intraspecific variability of the essential oil of Calamintha nepeta subsp. nepeta from Southern Italy (Apulia).
Nat. Prod. Res. 27(4-5) , 331-9, (2013) The essential oil of 46 spontaneous plants of Calamintha nepeta (L.) Savi subsp. nepeta growing wild in Sud, Italy (Salento, Apulia), were investigated by GC/MS. Fifty-seven components were identified... |
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.
| (5R)-5-methyl-2-(methylethylidene)cyclohexan-1-one |
| (5R)-2-Isopropylidéne-5-méthylcyclohexanone |
| (R)-Pulegone |
| PULEGON |
| MFCD00063000 |
| PULEGONE,TECH |
| 2-isopropylidene-5-methylcyclohexan-1-one |
| EINECS 201-943-2 |
| (5R)-5-Methyl-2-(2-propanyliden)cyclohexanon |
| (+)-(R)-Pulegone |
| D-PULEGONE |
| R-(+)-Pulegone |
| Pulegone,(d) |
| (1R)-(+)-pulegone |
| (5R)-2-Isopropylidene-5-methylcyclohexanone |
| (+)-Pulegone |
| R-(+)-p-Menth-4(8)-en-3-one |
| FEMA 2963 |
| Pulegone |
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 (+)-pulegone? |
| A: SMILES notation of (+)-pulegone is CC(C)=C1CCC(C)CC1=O. |
| Q: What is the InChIKey of (+)-pulegone? |
| A: InChIKey of (+)-pulegone is NZGWDASTMWDZIW-MRVPVSSYSA-N. |
| Q: What are the uses of (+)-pulegone? |
| A: Main uses of (+)-pulegone: Pulegone, the major chemical constituent of Calamintha nepeta (L.) Savi essential oil which is an aromatic herb with a mint-oregano flavor, is one of avian repellents[1]. The molecular target for the repellent action of Pulegone in avian species is nociceptive TRP ankyrin 1 (TRPA1). Pulegone stimulates both TRPM8 and TRPA1 channel in chicken sensory neurons and suppresses the former but not the latter at high concentrations[2]. |
| Q: What is the LogP of (+)-pulegone? |
| A: LogP of (+)-pulegone is 2.56. |
| Q: What is the polar surface area (PSA) of (+)-pulegone? |
| A: Polar surface area (PSA) of (+)-pulegone is 17.07000. |
| Q: What is the English name of (+)-pulegone? |
| A: The English name of (+)-pulegone is (+)-pulegone. |
| Q: What is the boiling point of (+)-pulegone? |
| A: Boiling point of (+)-pulegone is 224.0±0.0 °C at 760 mmHg. |
| Q: What English synonyms does (+)-pulegone have? |
| A: English synonyms of (+)-pulegone: (5R)-5-methyl-2-(methylethylidene)cyclohexan-1-one, (5R)-2-Isopropylidéne-5-méthylcyclohexanone, (R)-Pulegone, PULEGON, MFCD00063000, PULEGONE,TECH, 2-isopropylidene-5-methylcyclohexan-1-one, EINECS 201-943-2, (5R)-5-Methyl-2-(2-propanyliden)cyclohexanon, (+)-(R)-Pulegone, D-PULEGONE, R-(+)-Pulegone, Pulegone,(d), (1R)-(+)-pulegone, (5R)-2-Isopropylidene-5-methylcyclohexanone, (+)-Pulegone, R-(+)-p-Menth-4(8)-en-3-one, FEMA 2963, Pulegone. |
| Q: What are the downstream products of (+)-pulegone? |
| A: Related downstream products(CAS) of (+)-pulegone: 106550-07-6;491-09-8;35736-66-4;3304-24-3;87791-00-2;494-90-6;65253-04-5;591-24-2;89-83-8. |
| Q: What is the safety information for (+)-pulegone? |
| A: Safety information for (+)-pulegone: S23-S24/25. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| naturewill |