5-이소프로필-2-메틸-사이클로헥사논
Cyclohexanone, 2-methyl-5-(1-methylethyl)-
기본 정보
- CAS
499-70-7- 표준 SMILES
CC1CCC(C(C)C)CC1=O- InChIKey
GCRTVIUGJCJVDD-UHFFFAOYSA-N- 분자식
- C10H18O
- 평균 분자량
- 154.25 g/mol
- 단동위원소 질량
- 154.1357652
개요
Tetrahydrocarvone is a p-menthane monoterpenoid.
이름 및 식별자
- 우선 이름
- Cyclohexanone, 2-methyl-5-(1-methylethyl)-
- IUPAC
- 2-methyl-5-propan-2-ylcyclohexan-1-one
- 현지명
- 5-이소프로필-2-메틸-사이클로헥사논
- 영어명
- 5-Isopropyl-2-methyl-cyclohexanone
- 분자식
- C10H18O
- 분자량
- 154.25
이름 및 동의어
59471-80-6Cyclohexanone, 2-methyl-5-(1-methylethyl)-p-Menthan-2-one2-methyl-5-propan-2-ylcyclohexan-1-oneDTXSID90862053RefChem:129649DTXCID10220691611-835-05-Isopropyl-2-methylcyclohexanone2-Methyl-5-(1-methylethyl)cyclohexanone5-Isopropyl-2-methyl-cyclohexanone2-methyl-5-(propan-2-yl)cyclohexan-1-one
이름 더 보기
5-이소프로필-2-메틸-사이클로헥사논CARVOMENTHONPARA-MENTHAN-2-ONEtrans-para-menthan-2-one(±)-trans-p-menthan-2-one5-Isopropyl-2-methylcyclohexan-1-one2-methyl-5-propan-2-yl-cyclohexan-1-onetrans-5-Isopropyl-2-methylcyclohexan-1-on
FEMA 3176MFCD06252433(E)-para-menthan-2-onetrans-5-Isopropyl-2-methylcyclohexan-1-onetrans-5-Isopropyl-2-methylcyclohexanone2-Methyl-5-(1-methylethyl)-CyclohexanoneAI3-27538SCHEMBL812088
데이터베이스 식별자
- CAS
499-70-7、59471-80-6- PubChem CID
- 10362
- DTXSID
DTXSID90862053- ChEBI
CHEBI:167371- EC Number
- 611-835-0
- Nikkaji
- J6.178F
물성
구조 계산 물성
- 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
- 149
실험 및 물리화학적 성질
Fragrances
Fragrance substance (Carvomenthone) -> IFRA amendment 51
Fragrance Ingredient (Cyclohexanone, 2-_methyl-_5-_(1-_methylethyl)_-) -> IFRA transparency List
Fragrance Ingredient (p-Menthan-2-one) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.898-0.908 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
108.00 to 109.00 °C. @ 760.00 mm Hg
218-221 °C
Refractive Index1.451-1.457
Physical Descriptionclear, colourless liquid
물리화학적 성질
- 녹는점
- 175 °C · 175 °C
- 끓는 점
- 218 · 218-219 °C
- 밀도
- 0.904 g/cm3 · 0.904 g/cm3
- FEMA
- 3176 · 3176 | P-MENTHAN-2-ONE
- 냄새
- 100 %에서 · 100.00%에서. 우디민티 스피어민트 쿨링그린
- 냄새 유형
- 민트 맛
- JECFA Number
- 375 · 375
- 화장품 원료 기능
- 향수
- LogP
- 2.63 · 2.63
화학적 성질
p-Menthan-2-one has a spearmint odor and pungent taste.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: Cyclohexanone, 2-methyl-5-(1-methylethyl)-
Cyclohexanone, 2-methyl-5-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- 기존화학 물질
- KE-21720
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
IFRA Fragrance Standards
Carvomenthone
Carvomenthone; trans-p-Menthan-2-one; p-Menthan-2-one; trans-5-Isopropyl-2-methylcyclohexan-1-one; 5-Isopropyl-2-methylcyclohexanone; Cyclohexanone, 2-methyl-5-(1-methylethyl)-, trans-; Tetrahydrocarvone; Cyclohexanone, 2-âmethyl-â5-â(1-âmethylethyl)â-
IFRA_STD_262.pdf
51
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationCyclohexanone, 2-methyl-5-(1-methylethyl)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.0019 [Products applied to the lips]
0.0019 [Products applied to the axillae]
0.0019 [Products applied to the face/body using fingertips]
1.9 [Products related to fine fragrances]
0.079 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.0019 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
응용 분야
개요May be prepared by oxidation of carvomenthol; from α-methyl- (β'-isopropyl pimelic acid, dimethyl ester.
출처Reported found in the oil of Blumea malcomii and Blumea eriantha; as a flavor component of cognac and in grapefruit peel oil, starfruit, corn mint oil and spearmint oil.
제조 방법
By oxidation of carvomenthol; from α-methyl-β′-isopropyl pimelic acid, dimethyl ester. (+)-Carvomenthone is formed from (+)-dihydrocarvone in a divergent pathway.
관련 반응
2건
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