(+)-이량체의이혼제혼합물
(+)-Dihydrocarvone
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기본 정보
- CAS
5524-05-0- 표준 SMILES
C=C(C)[C@@H]1CC[C@@H](C)C(=O)C1- InChIKey
AZOCECCLWFDTAP-UHFFFAOYSA-N- 분자식
- C10H16O
- 평균 분자량
- 152.23 g/mol
개요
(+)-dihydrocarvone is a dihydrocarvone in (R,R) configuration. It is an enantiomer of a (-)-dihydrocarvone.
이름 및 식별자
- 우선 이름
- (+)-Dihydrocarvone
- IUPAC
- trans-(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
- 현지명
- (+)-이량체의이혼제혼합물
- 영어명
- (+)-DIHYDROCARVONE MIXTURE OF ISOMERS
- 분자식
- C10H16O
- 분자량
- 152.23
이름 및 동의어
5524-05-0(+)-Dihydrocarvone(1R,4R)-Dihydrocarvoned-Dihydrocarvone(+)-trans-dihydrocarvonetrans-(+)-dihydrocarvone(E)-dihydrocarvone(2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-one(2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexanonerel-(2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexan-1-one(1R,4R)-(+)-Dihydrocarvone(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
이름 더 보기
(+)-이량체의이혼제혼합물trans-DihydrocarvoneCarvone,dihydro-8-p-Menthen-2-one2R,5R-DIHYDROCARVONEp-Menth-8(9)-en-2-onep-Menth-8-en-2-one,trans-(2theta-trans)-cyclohexanon(+)-dihydrocarvone,mixtureofisomers
MFCD28125830CHEBI:154VTA43H364Z5948-04-9(+)-Dihydrocarvone (Mixture of (2S)/(2R) isomers)(2R-trans)-2-Methyl-5-(1-methylvinyl)cyclohexan-1-oneCyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-(2R,5R)-5-Isopropenyl-2-methylcyclohexanone
데이터베이스 식별자
- CAS
5524-05-0、5948-04-9- PubChem CID
- 22227
- DTXSID
DTXSID60895818- ChEMBL
CHEMBL2268553- ChEBI
CHEBI:154- UNII
- VTA43H364Z
- EC Number
- 226-872-4、611-836-6
- Nikkaji
- J995.644A
물성
구조 계산 물성보충 중
- XLogP
- 2.7
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 181
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 87 · 87-88°C/6mmHg
- 밀도
- 0.928 g/mL · 0.928 g/mL at 20 °C(lit.)
- 굴절률
- 20 · n20/D 1.471
- FEMA
- 3565 · 3565 | P-MENTH-8-EN-2-ONE
- 인화점
- 102 °C · 102 °C
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(소량으로 용해), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- Specific Gravity
- 0.929 · 0.929
- 색상
- 투명한
- 냄새
- 100 %에서 · 100.00%에서. 허브 민트 멘톨향
- 냄새 유형
- 민트 맛
- JECFA Number
- 377 · 377
- BRN
- 2044615 · 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
- 3.225 · 3.225 (est)
- EPA
- 2 · Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)- (5524-05-0)
화학적 성질
clear liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (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.
유해성 정보
Regulatory InformationChemical: Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans-
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29142900
- safety_code
- 23-24/25
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-: INACTIVE
응용 분야
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.
상·하류 제품 정보
상류 원료
추가 설명
정의ChEBI: A dihydrocarvone in (R,R) configuration.
관련 반응
5건
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