p-Menthan-3-one
P-MENTHAN-3-ONE · 2-ISOPROPYL-5-METHYLCYCLOHEXANONE · DL-MENTHONE · p-Menthanone · 5-Methyl-2-(1-methylethyl)cyclohexanone · MENTHONE · p-menthan- · MENTHONE 95
식별자 및 물리적 특성
| CAS No. | 10458-14-7 |
|---|---|
| 분자식 | C10H18O |
| 평균 분자량 | 154.25 g/mol |
| 단동위원소 질량 | 154.1357652 g/mol |
| SMILES | CC1CCC(C(C)C)C(=O)C1 |
| InChIKey | NFLGAXVYCFJBMK-UHFFFAOYSA-N |
| PubChem CID | 6986 |
| ChEMBL | CHEMBL1719455 |
| ChEBI | CHEBI:36742 |
| EC No. | 207-727-4 |
| DTXSID | DTXSID80859154 |
화학 및 물리적 성질
| XLogP | 2.7 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 149 |
| 의약품 | Pharmaceuticals |
| SpringerMaterials Properties | Boiling point |
| 향료 | Fragrance Ingredient (d,l-Isomenthone) -> IFRA transparency ListFragrance Ingredient (Menthone) -> IFRA transparency List |
| 밀도 | 0.895-0.9250.896 g/mL at 20 °C (lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | (in ethanol)Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| 끓는 점 | 210 °C85-88 °C/12 mmHg (lit.) |
| 굴절률 | 1.449-1.451n20/D 1.450 |
| Physical Description | colourless slightly oily liquid with a peppermint odour |
| 녹는점 | -6 °C |
| FEMA | 2667 | MENTHONE |
| 인화점 | 69 °C |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| 비중 | 0.90 |
| 냄새 | 민트 맛 |
| 용해도 | 물에 약간 용해됨 |
| JECFA Number | 429 |
| BRN | 774527 |
| 주요 응용 | 청소용품화장품향료 및 향음식 및 음료개인 위생 관리 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3 |
| InChIKey | NFLGAXVYCFJBMK-UHFFFAOYSA-N |
| SMILES | CC(C)C1CCC(C)CC1=O |
| LogP(분배 계수) | 2.63 |
| NIST | Cyclohexanone, 5-methyl-2-(1-methylethyl)-(10458-14-7) |
| EPA | Cyclohexanone, 5-methyl-2-(1-methylethyl)- (10458-14-7) |
화학적 성질
Menthone exists as two stereoisomers, trans-menthone and cis-isomenthone, each of which occurs as a pair of enantiomers, due to the two asymmetric centers present in the molecule. Both stereoisomers occur in many essential oils, often as a single enantiomer species. A particularly high concentration (sometimes >50%) is found in oils from Mentha species.Thementhones are colorless liquids that possess a typically minty odor; the odor of isomenthone is slightly musty.They have a strong tendency to interconvert and are, therefore, difficult to obtain in high purity. Industrial products aremixtures of varying composition. The menthones are converted into the corresponding menthols by means of hydrogenation; for example, ()-menthone yields (+)-neomenthol and ()-menthol. ()-Menthone can be obtained by distillation of dementholized cornmint oil or by oxidation of ()-menthol (e.g., with chromic acid). Dehydrogenation of ()- menthol (e.g., with copper chromite) yields a mixture of ()-menthone and (+)- isomenthone. rac-Menthone is prepared analogously to rac-menthol. However, it can also be synthesized by hydrogenation of thymol in the presence of palladium–carbon catalysts . Menthone and isomenthone are used for synthetic peppermint oils and bases.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 5.3% (87 of 1631) of reports.WarningH315 (88.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1631 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-Regulation (EC) No 1831/2003 (amended)Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 03-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/107922-Isopropyl-5-methylcyclohexanone: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 기타 안전 정보 | IMAP assessments - Menthone and isomenthone: Human health tier II assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (88.8%)Flam. Liq. 3 (86.3%)Skin Irrit. 2 (50%)Skin irritation - category 2 |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | OS9541500 |
| 운송 번호(UN) | NA 1993 / PGIII |
| 관세 코드 | 29142990 |
| 위험 문구(R) | 22-36-43-52/53 |
| 위험 표시 | Xn |
| 안전 문구(S) | 24/25-61-36/37-26 |
| 기존화학 물질 | 2015-3-7055 |
| 위험 등급 | Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Resp. Sens. 1 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Menthone has been used in the following studies:To prepare the model flavor mix in a study to investigate the release of various aroma compounds in xanthan-thickened food model systems having different viscosities. As standard in the quantification of volatile constituents and odour-activity value (OAV) in ′Marion′ and ′Black Diamond′. Modified semisolid agar antifungal susceptibility method (SAAS) to investigate the anti-fungal activities of various cyclic terpenes against Fusarium verticillioides MRC 826.
일반 설명
Menthone is a cyclic oxygenated terpene and its antioxidant potential has been evaluated. It is one of the key active component of Danshu capsule (DSC), a medicinal compound in traditional Chinese medicine.