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W270036

Sigma-Aldrich

Methyl cyclopentenolone hydrate

natural, 99%, FG

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Synonym(s):
Methyl cyclopentenolone hydrate, 3-Methylcyclopentane-1,2-dione hydrate, Cyclotene hydrate
Empirical Formula (Hill Notation):
C6H8O2 · H2O
CAS Number:
1396995-49-5
Molecular Weight:
130.14
FEMA Number:
2700
Council of Europe no.:
758
MDL number:
MFCD00149069
UNSPSC Code:
12164502
PubChem Substance ID:
329830521
Flavis number:
7.056
NACRES:
NA.21

grade

FG
Halal
Kosher
natural

Quality Level

400

reg. compliance

EU Regulation 1334/2008 & 872/2012

Assay

99%

mp

104-108 °C

solubility

ethanol: soluble

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

caramel; maple

SMILES string

O.CC1CCC(=O)C1=O

InChI

1S/C6H8O2.H2O/c1-4-2-3-5(7)6(4)8;/h4H,2-3H2,1H3;1H2

InChI key

LDLRTLHIDXJSQW-UHFFFAOYSA-N

Related Categories

General description

Methyl cyclopentenolone hydrate is reported to be present in some electronic cigarettes.

Application

This material is found primarily as the enol form (CAS 80-71-7) in its pure, anhydrous state. Readily forms the diketone form (CAS 765-70-8) in solution.

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Electronic cigarettes as a harm reduction strategy for tobacco control: a step forward or a repeat of past mistakes?.
Cahn Z & Siegel M.
Journal of Public Health Policy, 32(1), 16-31 (2011)
Cyclotene Hydrate, C6H8O2. H2O.
Fayle SE, et al.
Acta Crystallographica Section C, Structural Chemistry, 54(3), 404-405 (1998)

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