Basic information
- CAS
499-70-7- Standard SMILES
CC1CCC(C(C)C)CC1=O- InChIKey
GCRTVIUGJCJVDD-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.1357652
Overview
Tetrahydrocarvone is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- Cyclohexanone, 2-methyl-5-(1-methylethyl)-
- IUPAC
- 2-methyl-5-propan-2-ylcyclohexan-1-one
- English name
- 5-Isopropyl-2-methyl-cyclohexanone
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
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
Show more names
CARVOMENTHONPARA-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
Database identifiers
- CAS
499-70-7、59471-80-6- PubChem CID
- 10362
- DTXSID
DTXSID90862053- ChEBI
CHEBI:167371- EC Number
- 611-835-0
- Nikkaji
- J6.178F
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
Fragrances
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
108.00 to 109.00 °C. @ 760.00 mm Hg
218-221 °C
Refractive Index1.451-1.457
Physical Descriptionclear, colourless liquid
Physicochemical properties
- Melting point
- 175 °C · 175 °C
- Boiling point
- 218 · 218-219 °C
- Density
- 0.904 g/cm3 · 0.904 g/cm3
- FLAVIS Number
- 7.092 · 07.092 | p-Menthan-2-one
- FEMA
- 3176 · 3176 | P-MENTHAN-2-ONE
- Odor
- 100 % · at 100.00 %. woody minty spearmint cooling green
- Odor Type
- minty
- JECFA Number
- 375 · 375
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.63 · 2.63
- Substances Added to Food (formerly EAFUS)
- -2 · P-MENTHAN-2-ONE
- FDA UNII
- 5 PYY1B83Q · D5PYY1B83Q
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Hazard information
Regulatory Information
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
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
IFRA Fragrance Standards
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-âmethyl-â5-â(1-âmethylethyl)â-
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
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 (%)
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)]
Applications
DescriptionMay be prepared by oxidation of carvomenthol; from α-methyl- (β'-isopropyl pimelic acid, dimethyl ester.
OccurrenceReported 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.
Preparation methods
PreparationBy oxidation of carvomenthol; from α-methyl-β′-isopropyl pimelic acid, dimethyl ester. (+)-Carvomenthone is formed from (+)-dihydrocarvone in a divergent pathway.
Suppliers6 total
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]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
Additional notes
DefinitionChEBI: Tetrahydrocarvone is a p-menthane monoterpenoid.
Related reactions
2 records
Compound notes
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