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97597

Supelco

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
EC Number:
249-320-4
MDL number:
MFCD07371373
UNSPSC Code:
85151701
PubChem Substance ID:
329770547
NACRES:
NA.24

grade

analytical standard

Quality Level

100

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

InChI

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

InChI key

SWUIQEBPZIHZQS-UHFFFAOYSA-N

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.

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Precautionary Statements

P301 + P312 + P330

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

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 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)
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)

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