4-Methyllumbelliferyl stearate
Basic information
- CAS
79408-85-8- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1- InChIKey
QOIJAZYHGUNKLA-UHFFFAOYSA-N- Molecular formula
- C28H42O4
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.30830982
Names & identifiers
- Preferred name
- 4-Methyllumbelliferyl stearate
- IUPAC
- (4-methyl-2-oxochromen-7-yl) octadecanoate
- English name
- 4-Methylumbelliferyl stearate
- Molecular formula
- C28H42O4
- Molecular weight
- 442.63
Names & synonyms
79408-85-8Octadecanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester4-Methyllumbelliferyl stearate4-MubstDTXSID60229639RefChem:99900DTXCID601521304-Methylumbelliferyl stearate4-methyl-2-oxo-2H-chromen-7-yl stearate4-Methylumbelliferylstearate(4-methyl-2-oxochromen-7-yl) octadecanoateMFCD00057311
Show more names
4-Methyl-2-oxo-2H-1-benzopyran-7-yl octadecanoate4-Methyl-2-oxo-2H-chromen-7-yl stearate - [M72695]7-(heptadecanylcarbonyl)oxy-4-methyl-2H-1-benzopyran-2-one4-methyl-2-oxy-2H-1-benzenebenzopyran-7-yl decaoctalkaneacidester
4-methyl-2-oxo-2H-chromen-7-yl octadecanoate4-?Methyl-?2-?oxo-?2H-?1-?benzopyran-?7-?yl Ester Octadecanoic Acid4-methylumbelliferyl-stearate4-methyl umbelliferyl stearateorb2941062SCHEMBL1095310QOIJAZYHGUNKLA-UHFFFAOYSA-NTXB-00053
Database identifiers
- CAS
79408-85-8- PubChem CID
- 133202
- DTXSID
DTXSID60229639- Nikkaji
- J2.140.688K
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 568
Physicochemical properties
- Boiling point
- 557.7 · 557.7±45.0 °C(Predicted)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Solid
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationOctadecanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Methylumbelliferyl stearate is a substrate for the measurement of lipase activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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