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beta-ionyl ethyl ether

Chemical Structure

General Material Information

Preferred name beta-ionyl ethyl ether
Trivial Name 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene
Short Description cyclohexene, 2-(3-ethoxy-1-butenyl)-1,3,3-trimethyl-
Formula C15 H26 O
CAS Number 65416-26-4
ECHA Number 265-765-7
FDA UNII Search
Nikkaji Number J307.408K
NMR Predictor External link
Synonyms
  • cyclohexene, 2-(3-ethoxy-1-butenyl)-1,3,3-trimethyl-
  • 2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene
  • 2-(3-ethoxybuten-1-yl)-1,3,3-trimethyl cyclohexene
  • 2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene
  • Cyclohexene, 2-(3-ethoxy-1-buten-1-yl)-1,3,3-trimethyl-
  • 2-(3-Ethoxy-1-buten-1-yl)-1,3,3-trimethylcyclohexene

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Literature & References

2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:65416-26-4
Pubchem (cid):6436993
Pubchem (sid):135061843
Publications by US Patents
4,461,309 - Ionyl-alkyl and ionyl alkenyl ethers as flavorants for tobacco

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 222.37141418457
Boiling Point 286 to 287°C @ 760 mm Hg
Vapor Pressure 0.005 mmHg @ 25 °C
Flash Point TCC Value 113.8 °C TCC
logP (o/w) 5.438 est
Solubility
alcohol Yes
water, 0.3465 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fruity, apricot, raspberry, woody, cedar, floral
General comment At 10.00 % in dipropylene glycol. fruity apricot and raspberry woody cedarous flowery

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 beta-ionyl ethyl ether 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):65416-26-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6436993
National Institute of Allergy and Infectious Diseases:Data
2-[(E)-3-ethoxybut-1-enyl]-1,3,3-trimethylcyclohexene
Chemidplus:0065416264