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7-allyl benzo[b][1,4]dioxepin-3-one

General Material Information

Preferred name 7-allyl benzo[b][1,4]dioxepin-3-one
Trivial Name 7-prop-2-enyl-1,5-benzodioxepin-3-one
Short Description 7-allylbenzo[b][1,4]dioxepin-3-one
Formula C12 H12 O3
Nikkaji Number J2.012.120C
xLogP3-AA 2.60 (est)
NMR Predictor External link
Synonyms
  • 7-allyl-2H-1,5-benzodioxepin-3(4H)-one
  • 7-allylbenzo[b][1,4]dioxepin-3-one
  • 7-prop-2-enyl-1,5-benzodioxepin-3-one

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Literature & References

7-prop-2-enyl-1,5-benzodioxepin-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11138191
Pubchem (sid):42193023
Publications by US Patents
7,235,519 - 1,2 Substituted 2,3-dihydro-1H-5,9 dioxacyclohepta[F]indden-7-ones and 7-substituted benzo[B][1,4]dioxepin-3-ones

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
HMDB (The Human Metabolome Database):Search
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 204.22523498535
Flash Point TCC Value 143.7 °C TCC
logP (o/w) 1.756 est
Solubility
water, 66.2 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Herbal
marine, floral, ozone, watermelon, fatty, aldehydic
General comment At 1.00 % in dipropylene glycol. marine-floral odor with nuances of ozone, watermelons and fatty aldehydes

Safety Information

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 7-allyl benzo[b][1,4]dioxepin-3-one flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
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Laboratory Chemical Safety Summary :11138191
7-prop-2-enyl-1,5-benzodioxepin-3-one