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(Z)-coconut decanone ethyl

Chemical Structure

General Material Information

Preferred name (Z)-coconut decanone ethyl
Trivial Name cis-8-Ethyl-1-oxaspiro[4.5]decan-2-one
Short Description (Z)-ethyl laitone
Formula C11 H18 O2
CAS Number 91069-39-5
FDA UNII Search
xLogP3-AA 2.60 (est)
NMR Predictor External link
Synonyms
  • cis- coconut decanone ethyl
  • (Z)- ethyl laitone
  • cis- ethyl laitone
  • (Z)-8-ethyl-1-oxaspiro(4.5)decan-2-one
  • cis-8-ethyl-1-oxaspiro(4.5)decan-2-one
  • (Z)-8-ethyl-1-oxaspiro[4.5]decan-2-one
  • cis-8-ethyl-1-oxaspiro[4.5]decan-2-one
  • 8-ethyl-4-oxaspiro[4.5]decan-3-one
  • 1-Oxaspiro[4.5]decan-2-one, 8-ethyl-, cis-
  • cis-8-Ethyl-1-oxaspiro[4.5]decan-2-one

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

8-ethyl-4-oxaspiro[4.5]decan-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):18598146
Pubchem (sid):135261666
Publications by US Patents
4,519,944 - Spirolactones as odorants

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 182.26286315918
Boiling Point 279 to 280°C @ 760 mm Hg
Vapor Pressure 0.004 mmHg @ 25 °C
Flash Point TCC Value 112.1 °C TCC
logP (o/w) 2.336 est
Solubility
alcohol Yes
water, 203.7 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Creamy
creamy, peach, lactonic
General comment At 1.00 % in dipropylene glycol. creamy peachy lactone

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for (Z)-coconut decanone ethyl 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):91069-39-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :18598146
National Institute of Allergy and Infectious Diseases:Data
8-ethyl-4-oxaspiro[4.5]decan-3-one
Chemidplus:0091069395