基本情報
- CAS
17627-49-5- 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
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
- 英語名
- Menthone
- 分子式
- C10H18O
- 分子量
- 154.24932
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
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
17627-49-5- 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
- 形式電荷
- 0
- 複雑度
- 149
実験および物理化学的性質
DrugsPharmaceuticals
SpringerMaterials PropertiesBoiling point
Fragrances
Fragrance Ingredient (d,l-Isomenthone) -> IFRA transparency List
Fragrance Ingredient (Menthone) -> IFRA transparency List
Density0.895-0.925
Flavoring Agents
EU Flavoring substances
EU Flavoring substances
Solubility(in ethanol)
Boiling Point210 °C
Refractive Index1.449-1.451
Physical Descriptioncolourless slightly oily liquid with a peppermint odour
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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
Skin Irrit. 2 (88.8%)
Flam. Liq. 3 (86.3%)
Skin Irrit. 2 (50%)
Skin irritation - category 2
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
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
Fragrance Ingredients
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
Not Known or Reasonably Ascertainable
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel-: ACTIVE
サプライヤー7 社
Xiamen Eagle Chemical Limited Corporation+86-18900207489 · [email protected]
LUYUNJIA CHEMISTRY XIAMEN LIMITED+86-592-5360779 +86-13055435203
武汉鑫儒化工有限公司15927387915 15337108568
武汉曙欧科技有限公司17792809151;18872220797 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
佛山道麒生物科技有限公司18062666947 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…