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40199

Sigma-Aldrich

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:
110238-91-0
Molecular Weight:
144.17
Beilstein:
114974
MDL number:
MFCD01075170
UNSPSC Code:
12352100
PubChem Substance ID:
57649929
NACRES:
NA.22

grade

produced by BASF

Assay

≥98.0% (GC)

form

liquid

density

1.080 g/mL at 20 °C (lit.)

functional group

ester
ether

SMILES string

COC(=O)C1CCOCC1

InChI

1S/C7H12O3/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3

InChI key

CNCMVGXVKBJYNU-UHFFFAOYSA-N

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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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H319

Precautionary Statements

P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

186.8 °F - closed cup

Flash Point(C)

86.0 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCBD0952V
BCBC3225
0001446324
1446324V
BCBC3225V

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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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