Basic information
- CAS
1196-31-2- Standard SMILES
CC(C)[C@H]1CC[C@@H](C)CC1=O- InChIKey
NFLGAXVYCFJBMK-RKDXNWHRSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
(+)-isomenthone is an isomenthone. It is an enantiomer of a (-)-isomenthone.
Names & identifiers
- Preferred name
- (+)-Isomenthone
- IUPAC
- cis-(2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
- English name
- (+)-isomenthone
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
(+)-Isomenthone1196-31-2D-isomenthone(1R,4R)-Isomenthone(2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-oneIsomenthone, (+)-(2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one3S2W18YHP6ISOMENTHONE, D-EINECS 214-813-5(1R,4R)-p-menthan-3-oneCHEBI:36492
Show more names
(1R,4R)-p-Menthane-3-one[1R,4R,(+)]-p-Menthan-3-oneIsomenthone Impurity 1 ((+)-Isomenthone)(2R)-2βα-Isopropyl-5β-methylcyclohexanone(2R,5R)-2-isopropyl-5-methyl-cyclohexanone(2R)-2β-Isopropyl-5β-methylcyclohexane-1-one
DTXSID001015953(1R,4R)-P-MENTH-3-ONECyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-(2R,5R)-2-isopropyl-5-methylcyclohexanone(2R-cis)-5-methyl-2-(1-methylethyl)cyclohexanoneCyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-RefChem:390597DTXCID5024475
Database identifiers
- CAS
1196-31-2、491-07-6- PubChem CID
- 70962
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (d,l-Isomenthone) -> IFRA transparency List
Density0.895-0.925
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point210 °C
Refractive Index1.449-1.451
Physical Descriptioncolourless slightly oily liquid with a peppermint odour
Physicochemical properties
- Melting point
Safety & regulation
GHS classification
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.
This chemical does not meet GHS hazard criteria for 91.5% (195 of 213) of all reports.
Hazard information
Regulatory Information
Chemical: Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-
Regulation (EC) No 1831/2003 (amended)
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)
Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R,5R)-rel-: 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
Not Classified
Skin Irrit. 2 (88.8%)
Skin Irrit. 2 (100%)
Skin irritation - category 2
Safety data
- Hazard statements
- H412
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 104 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
Household ProductsInformation on 11 consumer products that contain Isomenthone in the following categories is provided:
Use Classification
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
Applications
Uses(+)-Isomenthone is an isomer of L-Menthone. L-Menthone, is s a constituent of the essential oils of pennyroyal, peppermint, Pelargonium geraniums, and others. It is also a naturally occurring pesticide.
Upstream & downstream products
Downstream products
Suppliers32 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
成都健腾生物技术有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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