40199
Methyl tetrahydro-2H-pyran-4-carboxylate
produced by BASF, ≥98.0% (GC)
Synonym(s):
THPE
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About This Item
Empirical Formula (Hill Notation):
C7H12O3
CAS Number:
Molecular Weight:
144.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
114974
Assay:
≥98.0% (GC)
Form:
liquid
Product Name
Methyl tetrahydro-2H-pyran-4-carboxylate, produced by BASF, ≥98.0% (GC)
InChI
1S/C7H12O3/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3
SMILES string
COC(=O)C1CCOCC1
InChI key
CNCMVGXVKBJYNU-UHFFFAOYSA-N
assay
≥98.0% (GC)
form
liquid
density
1.080 g/mL at 20 °C (lit.)
functional group
ester
ether
Quality Level
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Application
Methyl tetrahydro-2H-pyran-4-carboxylate may be used in the following syntheses:
- cycloalkylamide derivatives
- tetrahydro-2-furoic chloride
- tetrahydro-2H-pyran-4-carboxylic chloride
signalword
Warning
hcodes
pcodes
Hazard Classifications
Eye Irrit. 2
Storage Class
10 - Combustible liquids
wgk
WGK 2
flash_point_f
186.8 °F - closed cup
flash_point_c
86.0 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Han Xiao et al.
Environmental pollution (Barking, Essex : 1987), 260, 113962-113962 (2020-02-01)
Tris (4-hydroxyphenyl)ethane (THPE), a trisphenol compound widely used as a branching agent and raw material in plastics, adhesives, and coatings is rarely regarded with concern. However, inspection of in vitro data suggests that THPE is an antagonist of estrogen receptors (ERs).
In-Hae Kim et al.
Journal of medicinal chemistry, 54(6), 1752-1761 (2011-02-23)
Structure-activity relationships of cycloalkylamide compounds as inhibitors of human sEH were investigated. When the left side of amide function was modified by a variety of cycloalkanes, at least a C6 like cyclohexane was necessary to yield reasonable inhibition potency on
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