p-Menthan-3-one

HCID 6986CAS 10458-14-7

기본 정보

표준 SMILES
CC1CCC(C(C)C)C(=O)C1
InChIKey
NFLGAXVYCFJBMK-UHFFFAOYSA-N
분자식
C10H18O
평균 분자량
154.25 g/mol
단동위원소 질량
154.1357652

개요

P-menthan-3-one is a p-menthane monoterpenoid that is p-menthane substituted by an oxo group at position 3. It has a role as a volatile oil component and a plant metabolite.

이름 및 식별자

우선 이름
p-Menthan-3-one
IUPAC
5-methyl-2-propan-2-ylcyclohexan-1-one
영어명
Menthone
분자식
C10H18O
분자량
154.25

이름 및 동의어

10458-14-7p-Menthan-3-one2-Isopropyl-5-methylcyclohexanone5-Methyl-2-(1-methylethyl)cyclohexanone5-Methyl-2-(isopropylcyclo)hexanoneNSC 1131345-Methyl-2-(isopropyl)cyclohexanoneEINECS 233-944-9CHEBI:36742DTXSID808591545-methyl-2-(propan-2-yl)cyclohexanoneRefChem:858108
이름 더 보기
DL-MENTHONEMENTHONEp-menthan-MENTHONE 95MENTHONE(AS)(+/-)-MENTHONE
DTXCID00209894233-944-9Cyclohexanone, 5-methyl-2-(1-methylethyl)-5-methyl-2-propan-2-ylcyclohexan-1-one491-07-62-Isopropyl-5-methyl-cyclohexanone5-methyl-2-(propan-2-yl)cyclohexan-1-onep-Menthanone

데이터베이스 식별자

CAS
10458-14-7、18309-28-9、491-07-6
PubChem CID
6986
DTXSID
DTXSID80859154
ChEMBL
CHEMBL1719455
ChEBI
CHEBI:36742
EC Number
207-727-4、233-944-9、242-194-1、905-013-3
Nikkaji
J633E

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

DrugsPharmaceuticals
SpringerMaterials PropertiesBoiling point
Fragrances · 2건

Fragrance Ingredient (d,l-Isomenthone) -> IFRA transparency List

Fragrance Ingredient (Menthone) -> IFRA transparency List

Density0.895-0.925
Flavoring Agents · 2건

EU Flavoring substances

EU Flavoring substances

Solubility(in ethanol)

물리화학적 성질

녹는점
-6 °C · -6 °C
끓는 점
85 · 85-88 °C/12 mmHg (lit.)
밀도
0.896 g/mL · 0.896 g/mL at 20 °C (lit.)
굴절률
20 · n20/D 1.450
FEMA
2667 · 2667 | MENTHONE
인화점
69 °C · 69 °C
화학적 성질 · 1건

Menthone exists as two stereoisomers, trans-menthone and cis-isomenthone, each of which occurs as a pair of enantiomers, due to the two asymmetric centers present in the molecule. Both stereoisomers occur in many essential oils, often as a single enantiomer species. A particularly high concentration (sometimes >50%) is found in oils from Mentha species.Thementhones are colorless liquids that possess a typically minty odor; the odor of isomenthone is slightly musty.They have a strong tendency to interconvert and are, therefore, difficult to obtain in high purity. Industrial products aremixtures of varying composition. The menthones are converted into the corresponding menthols by means of hydrogenation; for example, ()-menthone yields (+)-neomenthol and ()-menthol. ()-Menthone can be obtained by distillation of dementholized cornmint oil or by oxidation of ()-menthol (e.g., with chromic acid). Dehydrogenation of ()- menthol (e.g., with copper chromite) yields a mixture of ()-menthone and (+)- isomenthone. rac-Menthone is prepared analogously to rac-menthol. However, it can also be synthesized by hydrogenation of thymol in the presence of palladium–carbon catalysts . Menthone and isomenthone are used for synthetic peppermint oils and bases.

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 5.3% (87 of 1631) of reports.

Warning

H315 (88.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1631 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

유해성 정보

Regulatory Information · 6건

Chemical: Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-

Regulation (EC) No 1831/2003 (amended)

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 03-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10792

2-Isopropyl-5-methylcyclohexanone: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Menthone and isomenthone: Human health tier II assessment
Hazard Classes and Categories · 4건

Skin Irrit. 2 (88.8%)

Flam. Liq. 3 (86.3%)

Skin Irrit. 2 (50%)

Skin irritation - category 2

안전 데이터

wgk
3
rtecs
OS9541500
ridadr
NA 1993 / PGIII
HS 번호
29142990
risk_code
22-36-43-52/53
hazard_code
Xn

화학 및 산업

용도 및 제조

U.S. Production2023: 104 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
Household Products · 2건

Information on 11 consumer products that contain Isomenthone in the following categories is provided:

Information on 9 consumer products that contain P-Menthanone in the following categories is provided:

Use Classification · 3건

Fragrance Ingredients

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2건

Not Known or Reasonably Ascertainable

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel-: ACTIVE

응용 분야 · 2건

용도Menthone has been used in the following studies:To prepare the model flavor mix in a study to investigate the release of various aroma compounds in xanthan-thickened food model systems having different viscosities. As standard in the quantification of volatile constituents and odour-activity value (OAV) in ′Marion′ and ′Black Diamond′. Modified semisolid agar antifungal susceptibility method (SAAS) to investigate the anti-fungal activities of various cyclic terpenes against Fusarium verticillioides MRC 826.

일반 설명Menthone is a cyclic oxygenated terpene and its antioxidant potential has been evaluated. It is one of the key active component of Danshu capsule (DSC), a medicinal compound in traditional Chinese medicine.

공급사50 곳

成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

관련 반응

2건

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