(+-)-Piperitone
2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)- · PIPERITON · 3-methyl-6-(1-methylethyl)-2-Cyclohexen-1-one · P-MENTH-1-EN-3-ONE · PIPERTONE · ALPHA-PIPERITONE · 1-P-MENTHEN-3-ONE · Piperitone (mixture of enantiomers, predominantly (R)-(-)-form)
식별자 및 물리적 특성
| CAS No. | 89-81-6 |
|---|---|
| 분자식 | C10H16O |
| 평균 분자량 | 152.23 g/mol |
| 단동위원소 질량 | 152.12011513 g/mol |
| SMILES | CC1=CC(=O)C(C(C)C)CC1 |
| InChIKey | YSTPAHQEHQSRJD-UHFFFAOYSA-N |
| PubChem CID | 6987 |
| ChEMBL | CHEMBL2252746 |
| ChEBI | CHEBI:48933 |
| EC No. | 201-942-7 |
| DTXSID | DTXSID7052604 |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 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 | 189 |
| 향료 | Fragrance Ingredient (Piperitone) -> IFRA transparency List |
| LogP(분배 계수) | 2.85 |
| 향미제 | EU Flavoring substances |
| 용해도 | very slightly클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨) |
| 끓는 점 | 233.00 to 235.00 °C. @ 760.00 mm Hg233°C |
| 녹는점 | < 25 °C-29 °C |
| Physical Description | Solid |
| 밀도 | 0,93 g/cm3 |
| FEMA | 2910 | D-PIPERITONE |
| 굴절률 | -60 ° (C=4, benzene) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 기름 |
| 색상 | 무색~담황색 |
| 냄새 | 디프로필렌 글리콜 중 10.00%. 허브 민트 장뇌 약용 |
| 향취 유형 | 약초 |
| JECFA Number | 435 |
| Merck | 7473 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3 |
| InChIKey | YSTPAHQEHQSRJD-UHFFFAOYSA-N |
| SMILES | CC(CCC1C(C)C)=CC1=O |
| LogP(분배 계수) | 2.4 |
| EPA | Piperitone (89-81-6) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 1% (16 of 1634) of reports.WarningH315 (99%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 1634 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)REACH registered substance: 6-isopropyl-3-methylcyclohex-2-enone (EC: 201-942-7)2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (99%) |
| 수질 위해 등급(WGK) | WGK 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | OT0257000 |
| 관세 코드 | 2914.29.5000 |
| 안전 문구(S) | 23-24/25 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Piperitone is a monoterpene compound that has a fresh minty camphor-like odour, and naturally occurs in extracts of commercial oil of peppermint. Piperitone is also used as a starting material in the synthesis of Thymol (T413000), a phenolic compound that is used for its antibacterial properties. The cyclic ketone is more commonly used in flavour compositions, particularly in spice complexes with Caraway, Estragon, etc., and in fruit complexes with mint flavours, etc. Now and then, it has become “fashionable” in dentifrice preparations where larger amounts are used. The concentration normally used is equivalent to about 1 to 20 ppm in the finished product.
일반 설명
This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG