Basic information
- CAS
490-03-9- Standard SMILES
CC1=C(O)C(=O)C(C(C)C)CC1- InChIKey
QSIMLPCPCXVYDD-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Overview
Diosphenol is a cyclic monoterpene ketone that is cyclohex-2-en-1-one substituted by a hydroxy group at position 2, a methyl group at position 3 and an isopropyl group at position 6. It has a role as a plant metabolite. It is a cyclic monoterpene ketone and an enol.
Names & identifiers
- Preferred name
- 2-Hydroxypiperitone
- IUPAC
- 2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
- English name
- 2-hydroxy-6-(isopropyl)-3-methylcyclohex-2-en-1-one
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
Diosphenol490-03-92-HydroxypiperitoneBarosma camphorBuchu camphorBuccocamphor1-p-menthen-2-ol-3-one2-hydroxy-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-oneUNII-4221SIG7EK4221SIG7EKEINECS 207-704-92-Hydroxy-6-isopropyl-3-methyl-2-cyclohexen-1-one
Show more names
2-HYDROXY-PARA-MENTH-1-EN-3-ONE2-hydroxy-6-(isopropyl)-3-methylcyclohex-2-en-1-one2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one2-hydroxy-3-methyl-6-propan-2-yl-cyclohex-2-en-1-one2-Cyclohexen-1-one,2-hydroxy-3-methyl-6-(1-methylethyl)-
2-HYDROXY-P-MENTH-1-EN-3-ONECHEBI:4632FEMA NO. 41431-methyl-4-isopropyl-1-cyclohexen-2-ol-3-one2-Hydroxy-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-one2-HYDROXY-6-ISOPROPYL-3-METHYLCYCLOHEX-2-ENONERefChem:258392-Cyclohexen-1-one, 2-hydroxy-3-methyl-6-(1-methylethyl)-
Database identifiers
- CAS
490-03-9
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water
Soluble (in ethanol)
Boiling Point231-233 °C
Physical DescriptionColourless to pale yellow crystals; Minty tea aroma
Physicochemical properties
- Melting point
- 83 ° · 83°
- Boiling point
- 760 · bp760 233° (dec); bp10 109°
- Density
- 499.2 · d499.2 0.9542
- FEMA
- 4143 · 4143 | (+/-)-2-HYDROXYPIPERITONE
- FLAVIS Number
- 7.168 · 07.168 | 2-Hydroxypiperitone
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Cyclohexen-1-one, 2-hydroxy-3-methyl-6-(1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Cyclohexen-1-one, 2-hydroxy-3-methyl-6-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Cyclohexen-1-one, 2-hydroxy-3-methyl-6-(1-methylethyl)-: ACTIVE
Applications
OccurrenceReported found in buchu leaf and buchu leaf oil (22.3%).
UsesHas occasionally found use in flavor compositions, years ago in various toothpaste flavor compositions, but the author believes that the use of Diosphenol in flavors has been practically abandoned. The natural oil, Buchu leaf oil, is still used in various types of Mint flavor, particularly in Europe and South Africa.
Suppliers10 total
常州宣叶科技有限公司15195022192 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
career henan chemical co
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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