(+)-이량체의이혼제혼합물
(+)-이량체의이혼제혼합물 · trans-Dihydrocarvone · Carvone,dihydro- · 8-p-Menthen-2-one · (+)-Dihydrocarvone · 2R,5R-DIHYDROCARVONE · p-Menth-8(9)-en-2-one · p-Menth-8-en-2-one,trans-
식별자 및 물리적 특성
| CAS No. | 5524-05-0 |
|---|---|
| 분자식 | C10H16O |
| 평균 분자량 | 152.23 g/mol |
| SMILES | C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1 |
| InChIKey | AZOCECCLWFDTAP-UHFFFAOYSA-N |
| PubChem CID | 22227 |
| ChEMBL | CHEMBL2268553 |
| ChEBI | CHEBI:154 |
| EC No. | 226-872-4 |
| DTXSID | DTXSID60895818 |
| 현지명 | (+)-이량체의이혼제혼합물 |
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 | 181 |
| 지질 | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102] |
| SpringerMaterials Properties | Boiling point |
| 향료 | Fragrance Ingredient (Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-) -> IFRA transparency List |
| 끓는 점 | 87-88°C/6mmHg |
| 밀도 | 0.928 g/mL at 20 °C(lit.) |
| 굴절률 | n20/D 1.471 |
| FEMA | 3565 | P-MENTH-8-EN-2-ONE |
| 인화점 | 102 °C |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 클로로포름(소량으로 용해), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 액체 |
| 비중 | 0.929 |
| 색상 | 투명한 |
| 냄새 | 100.00%에서. 허브 민트 멘톨향 |
| 향취 유형 | 민트 맛 |
| JECFA Number | 377 |
| BRN | 2044615 |
| InChI | 1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3 |
| InChIKey | AZOCECCLWFDTAP-UHFFFAOYSA-N |
| SMILES | CC1CCC(CC1=O)C(C)=C |
| LogP(분배 계수) | 3.225 (est) |
| EPA | Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)- (5524-05-0) |
화학적 성질
clear liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans- |
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29142900 |
| 안전 문구(S) | 23-24/25 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
(+)-Dihydrocarvone may be used in the following processes:Synthesis of dispiro 1,2,4,5-tetraoxanes, which show potent anti-malarial activity.Synthesis of an epoxylactone by oxidation, which can undergo copolymerization with ε-caprolactone to form cross-linked copolymers with shape memory properties.Synthesis of α-Cyperone, a eudesmane type sesquiterpenoid compound with potent insecticidal activity.
일반 설명
(+)-Dihydrocarvone, a monoterpenoid compound found in caraway oil, is a key building block to synthesize sesquiterpenes. It is generally produced either by the hydrogenation of carvone or oxidation of limonene.