Basic information
- CAS
579-94-2- Standard SMILES
CCOCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C- InChIKey
DXGZIMYAPNIRHS-FRRDWIJNSA-N- Molecular formula
- C14H26O3
- Average molar mass
- 242.35 g/mol
- Monoisotopic mass
- 242.18819469
Names & identifiers
- Preferred name
- Menglytate
- IUPAC
- [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-ethoxyacetate
- English name
- menglytate
- Molecular formula
- C14H26O3
- Molecular weight
- 242.35
Names & synonyms
Menglytate579-94-2MenglytatumMenglitatoMenglytate [INN]p-Menth-3-yl ethoxyacetateC3B9R0E116Menglytatum [INN-Latin]Menglitato [INN-Spanish]MENGLYTATE [MART.]MENGLYTATE [WHO-DD]O-Ethylglykolsaeurementhylester
Show more names
Menthyl ethoxyacetateEthoxyacetic acid p-menth-3-yl ester[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-ethoxyacetate[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-ethoxyethanoate2-ethoxyacetic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester
DTXSID30883444EINECS 209-448-3Menglytatum (INN-Latin)Menglitato (INN-Spanish)1alpha,4beta-4-Menthan-3alpha-yl ethoxyacetatMENGLYTATE (MART.)Acetic acid, 2-ethoxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel-Acetic acid, ethoxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel-
Database identifiers
- CAS
579-94-2- PubChem CID
- 68932
- DTXSID
DTXSID30883444- ChEMBL
CHEMBL3989469- UNII
- C3B9R0E116
- EC Number
- 209-448-3
- Nikkaji
- J269.448D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 345.18 °C · 345.18°C (rough estimate)
- Density
- 0.9545 · 0.9545
- refractive index
- 1.441 · 1.4410 (estimate)
- Odor
- moldy
- LogP
- 4.381 · 4.381 (est)
- FDA UNII
- 3 B9R0E116 · C3B9R0E116
- EPA Substance Registry System
- Acetic acid, ethoxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel- (579-94-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Acetic acid, ethoxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1.alpha.,2.beta.,5.alpha.)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-ethoxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers3 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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