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watermelon ketone

Chemical Structure

General Material Information

Preferred name watermelon ketone
Trivial Name 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one
Short Description 8-methyl-1,5-benzodioxepin-3-one
Formula C10 H10 O3
CAS Number 28940-11-6
Deleted CAS Number 35783-05-2
ECHA Number 249-320-4
FDA UNII 0NQ136C313
Nikkaji Number J286.485A
MDL MFCD07371373
xLogP3-AA 1.90 (est)
NMR Predictor External link
Synonyms
  • 2H-1,5-benzodioxepin-3(4H)-one, 7-methyl-
  • 7-methyl-1,5-benzodioxepan-3-one
  • 7-methyl-2H-1,5-benzodioxepin-3(4H)-one
  • 7-methyl-2h-benzo-1,5-dioxepin-3(4h)-one
  • 7-methyl-2H-benzo[b][1,4]dioxepin-3(4H)-one
  • 7-methyl-2H,4H-1,5-benzodioxepin-3-one
  • 7-methyl-2H,4H-benzo[b]1,4-dioxepan-3-one
  • 7-methyl-3,4-dihydro-2H-1,5-benzdioxepine-3-one
  • 7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-one
  • 7-methyl-3,4-dihydro(2H)-1,5-benzodioxepepin-3-one
  • 8-methyl-1,5-benzodioxepin-3-one
  • aquamor (IFF)
  • calone (Firmenich)
  • calone 161 (Firmenich)
  • calone 161 DPG (Firmenich)
  • calone 1951 (Firmenich)
  • ganone
  • marinone (A.C.S. International)
  • methyl benzodioxepinone
  • methyl-7-3,4-dihydro-(2H)-1,5-benzodioxepine-3-one
  • oceanone
  • oceone
  • ozonor
  • watermelon ketone 10% dpg
  • watermelon ketone 50% solution in ethyl diglycol
  • watermelon ketone,calone
  • watermelon ketone (calone)
  • Calone 1951
  • Calone
  • 7-Methyl-1,5-benzodioxepin-3-one

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Literature & References

8-methyl-1,5-benzodioxepin-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:28940-11-6
Pubchem (cid):120101
Pubchem (sid):135077863
Publications by PubMed
Marine fragrance chemistry.
Characterization and semiquantitative analysis of volatiles in seedless watermelon varieties using solid-phase microextraction.

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2934.90.0000
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 178.18730163574
Melting Point 38 to 41°C @ 760 mm Hg
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 166.67 °C TCC
logP (o/w) 2.43
Shelf life 36 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
dipropylene glycol Yes
water, slightly soluble in hot water Yes
water, 471.5 mg/L @ 25 °C (est) Yes
paraffin oil No
Stability
APC: traces - 0.5% Unspecified
candle: traces - 0.5% Unspecified
detergent: traces - 0.5% Unspecified
fine fragrances: traces - 0.5% Unspecified
shampoo: traces - 0.5% Unspecified
shower gel: traces - 0.5% Unspecified
soap: traces - 0.5% Unspecified
softener: traces - 0.5% Unspecified

Organoleptic Properties

Odor Type: Melon
fresh, watery, clean, melon, green, marine, ozone, phenolic
Odor strength high , recommend smelling in a 10.00 % solution or less
Substantivity > 600 hour(s) at 10.00 % in dipropylene glycol
Luebke, William tgsc, (1986) At 10.00 % in dipropylene glycol. fresh watery clean melon green marine ozone phenolic
The ingredient is very trendy and has been widely used since the 1990’s. The ingredient is the basis of several perfumes. This unusual odorant has intense ozone and marine notes with floral overtones
General comment Marine moss ozone floral heliotrope melon green fresh
The classic fresh, watery, marine note used in many modern compositions, here in an easier to use liquid form originally made available by Firmenich – it’s at 50% in DME (carbitol) – but the material for sale here is a generic equivalent. Fresh, watery, clean, melon-green, marine, ozone

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Acute toxicity, Oral (Category 4), H302
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H302 - Harmful if swallowed
Precautionary statement(s)
P264 - Wash skin thouroughly after handling.
P270 - Do not eat, drink or smoke when using this product.
P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P330 - Rinse mouth.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Oral/Parenteral Toxicity:
oral-rat LD50 1556 mg/kg
Dispose of contents/ container to an approved waste disposal plant.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for watermelon ketone usage levels up to:
0.5000 % in the fragrance concentrate.
Recommendation for watermelon ketone flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):28940-11-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :120101
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
8-methyl-1,5-benzodioxepin-3-one
Chemidplus:0028940116