Skip to Content
MilliporeSigma
All Photos(3)

Documents

W270036

Sigma-Aldrich

Methyl cyclopentenolone hydrate

greener alternative

natural, 99%, FG

Synonym(s):

Methyl cyclopentenolone hydrate, 3-Methylcyclopentane-1,2-dione hydrate, Cyclotene hydrate

Sign Into View Organizational & Contract Pricing
All Photos(3)

About This Item

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%

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

mp

104-108 °C

solubility

ethanol: soluble

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

greener alternative category

Aligned

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.
We are committed to bringing you greener alternative products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".

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_germany

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’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Cyclotene Hydrate, C6H8O2. H2O.
Fayle SE, et al.
Acta Crystallographica Section C, Structural Chemistry, 54(3), 404-405 (1998)
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)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service