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etaspirene

Chemical Structure

General Material Information

Preferred name etaspirene
Trivial Name 6-Ethyl-2,10,10-trimethyl-1-oxaspiro[4.5]deca-3,6-diene
Short Description 1-oxaspiro(4.5)deca-3,6-diene, 6-ethyl-2,10,10-trimethyl-
Formula C14 H22 O
CAS Number 79893-63-3
ECHA Number 279-344-0
FDA UNII Search
Nikkaji Number J320.204F
xLogP3-AA 3.30 (est)
NMR Predictor External link
Synonyms
  • 6-ethyl-2,10,10-trimethyl-1-oxaspiro(4.5)deca-3,6-diene
  • 6-ethyl-2,10,10-trimethyl-1-oxaspiro[4.5]deca-3,6-diene
  • 6-ethyl-3,10,10-trimethyl-4-oxaspiro[4.5]deca-1,6-diene
  • 1-oxa spiro(4.5)deca-3,6-diene, 6-ethyl-2,10,10-trimethyl-
  • 6-ethyl-3,10,10-trimethyl-4-oxaspiro[4.5]deca-1,6-diene
  • 1-Oxaspiro[4.5]deca-3,6-diene, 6-ethyl-2,10,10-trimethyl-
  • 6-Ethyl-2,10,10-trimethyl-1-oxaspiro[4.5]deca-3,6-diene

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

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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):HMDB36023
FooDB:FDB014841
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 206.3285369873
Boiling Point 272 to 274°C @ 760 mm Hg
Vapor Pressure 0.01 mmHg @ 25 °C
Flash Point TCC Value 115.5 °C TCC
logP (o/w) 4.337 est
Solubility
alcohol Yes
water, 1.915 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
currant black currant, berry, fruity
General comment At 10.00 % in dipropylene glycol. black currant

Potential Uses

Applications
Odor purposes Currant black currant

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 etaspirene 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):79893-63-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :22219099
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
6-ethyl-3,10,10-trimethyl-4-oxaspiro[4.5]deca-1,6-diene
Chemidplus:0079893633