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Merck
CN

97597

7-Methyl-2H-1,5-benzodioxepin-3(4H)-one

analytical standard

Synonym(s):

7-Methylbenzo[b][1,4]dioxepin-3-one, Methylbenzodioxepinone, Watermelon ketone

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About This Item

Empirical Formula (Hill Notation):
C10H10O3
CAS Number:
28940-11-6
Molecular Weight:
178.18
PubChem Substance ID:
329770547
UNSPSC Code:
85151701
NACRES:
NA.24
EC Number:
249-320-4
MDL number:
MFCD07371373

Key Documents

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InChI key

SWUIQEBPZIHZQS-UHFFFAOYSA-N

InChI

1S/C10H10O3/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4H,5-6H2,1H3

grade

analytical standard

assay

≥98.0% (GC)

shelf life

limited shelf life, expiry date on the label

impurities

≤4.0% water (calc. from elemental analysis)

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

storage temp.

2-8°C

Quality Level

100

General description

7-Methyl-2H-1,5-benzodioxepin-3(4H)-one, a synthetic fragrance ingredient, belongs to the group of marine odorants. It is sought for its olfactory impression of a seashore with floral notes. This benzodioxepinone possesses a molecular framework desirable for the study of structure-odor relationships (SOR).

Application

7-Methyl-2H-1,5-benzodioxepin-3(4H)-one may be used as an analytical standard for the determination of the analyte in the olfactory evaluation of synthetic marine odorant formulations by various chromatographic techniques.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

13 - Non Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG2519
BCCB7711
BCBV2622

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Structure-activity relationship in the domain of odorants having marine notes
Gaudin JM, et al.
Helvetica Chimica Acta, 90(7), 1245-1265 (2007)
Synthesis of benzodioxepinone analogues via a novel synthetic route with qualitative olfactory evaluation
Drevermann B, et al.
Helvetica Chimica Acta, 90(5), 1006-1027 (2007)
Synthesis of Saturated Benzodioxepinone Analogues: Insight into the Importance of the Aromatic Ring Binding Motif for Marine Odorants
Plummer CM, et al.
European Journal of Organic Chemistry, 2015(3), 486-495 (2015)

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