Basic information
- CAS
59557-05-0- Standard SMILES
CC(=O)CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C- InChIKey
QSVQIPXQOCAWHP-UHTWSYAYSA-N- Molecular formula
- C14H24O3
- Average molar mass
- 240.34 g/mol
- Monoisotopic mass
- 240.17254462
Overview
L-Menthyl acetoacetate is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- l-Menthyl acetoacetate
- IUPAC
- [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 3-oxobutanoate
- English name
- Butanoic acid, 3-oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
- Molecular formula
- C14H24O3
- Molecular weight
- 240.34
Names & synonyms
L-Menthyl acetoacetate(1S,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl 3-oxobutanoateL-MENTHYL ACETOACETATE [FHFI]RefChem:797224Menthol acetoacetate[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 3-oxobutanoateSCHEMBL15914460CHEBI:168575NS00124797(1S,2R,5S)-2-ISOPROPYL-5-METHYLCYCLOHEXYL 3-OXOBUTANOATEMENTHYLACETOACETATElaevo-menthyl acetoacetate
Show more names
Acetoacetic acid (1R,3R,4S)-p-menthane-3-yl ester(1R,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexyl 3-oxobutanoate3-Oxobutyric acid (1β)-2α-isopropyl-5β-methylcyclohexyl ester3-Oxobutanoic acid (1R)-5β-methyl-2α-isopropylcyclohexyl esterAcetoacetic acid [(1R)-2α-isopropyl-5β-methylcyclohexane]-1β-yl ester3-Oxobutanoic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Physicochemical properties
- Boiling point
- 323.06 °C · 323.06°C (rough estimate)
- Density
- 1.073 · 1.0730 (rough estimate)
- refractive index
- 1.5557 · 1.5557 (estimate)
- FEMA
- 4327 · 4327 | L-MENTHYL ACETOACETATE
- Odor
- minty
- JECFA Number
- 1854 · 1854
- LogP
- 4.11 · 4.11
- Substances Added to Food (formerly EAFUS)
- L-MENTHYL ACETOACETATE
- FDA UNII
- 7 Y94FXH95P · 7Y94FXH95P
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Suppliers6 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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