Cyclohexanone, 2-methyl-5-(1-methylethyl)-

HCID 10362CAS 499-70-7
부분 구조 검색유사 구조 찾기

기본 정보

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

실험 및 물리화학적 성질

Fragrances · 3건

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 · 2건

108.00 to 109.00 °C. @ 760.00 mm Hg

218-221 °C

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

화학적 성질

p-Menthan-2-one has a spearmint odor and pungent taste.

안전 및 규제

유해성 정보

Regulatory Information · 2건

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 · 6건

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-​methyl-​5-​(1-​methylethyl)​-

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 · 4건

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 (%) · 6건

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.

공급사6 곳

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
杭州药睿易成生物医药有限公司18072846723 · [email protected]

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