p-メンタン-3-オン

p-Menthan-3-one

HCID 6986CAS 10458-14-7

基本情報

標準SMILES
CC1CCC(C(C)C)C(=O)C1
InChIKey
NFLGAXVYCFJBMK-UHFFFAOYSA-N
分子式
C10H18O
平均分子量
154.25 g/mol
単同位体質量
154.1357652

概要

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.

名称と識別子

優先名称
p-Menthan-3-one
IUPAC
5-methyl-2-propan-2-ylcyclohexan-1-one
現地名
p-メンタン-3-オン
英語名
Menthone
分子式
C10H18O
分子量
154.25

名称と別名

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
名称をさらに表示
5-メチル-2-(1-メチルエチル)シクロヘキサノンp-メンタン-3-オン2-イソプロピル-5-メチルシクロヘキサノン5-メチル-2-(1-メチルエチル)シクロヘキサン-1-オン2-(1-メチルエチル)-5-メチル-1-シクロヘキサノンP-メンタ-3-オンメントン, 異性体混合物メントン, 異性体混合物, 98%5-メチル-2-(プロパン-2-イル)シクロヘキサン-1-オン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

データベース識別子

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

物性

構造計算による物性

XLogP
2.7
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
1
重原子数
11

実験および物理化学的性質

DrugsPharmaceuticals
SpringerMaterials PropertiesBoiling point
Fragrances · 2 件

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

Fragrance Ingredient (Menthone) -> IFRA transparency List

Density0.895-0.925
Flavoring Agents · 2 件

EU Flavoring substances

EU Flavoring substances

Solubility(in ethanol)

物理化学的性質

融点
-6 °C · -6 °C
沸点
85 · 85-88 °C/12 mmHg (lit.)
比重(密度)
0.896 g/mL · 0.896 g/mL at 20 °C (lit.)
屈折率
20 · n20/D 1.450
FEMA
2667 · 2667 | MENTHONE
闪点
69 °C · 69 °C
化学的性質 · 1 件

化学的特性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.

安全と法規制

GHS分類

GHS Classification · 6 件

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

危険有害性情報

Regulatory Information · 6 件

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 · 4 件

Skin Irrit. 2 (88.8%)

Flam. Liq. 3 (86.3%)

Skin Irrit. 2 (50%)

Skin irritation - category 2

安全データ

wgk
3
rtecs
OS9541500
ridadr
NA 1993 / PGIII
hs_code
29142990
risk_code
22-36-43-52/53
消防法
危-4-3-III

化学と産業

用途と製造

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

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 · 3 件

Fragrance Ingredients

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 件

Not Known or Reasonably Ascertainable

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

応用分野 · 2 件

使用Menthone 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.

一般的な説明Menthone 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.

サプライヤー50 社

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]

補足説明

定義本品は、次の化学式で表される有機化合物である。

関連反応

2 件

関連ノート

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