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celery undecene

Chemical Structure

General Material Information

Preferred name celery undecene
Trivial Name 3-Ethyl-8,11(or 9,11)-dimethyl-2,4-dioxaspiro[5.5]undec-8-ene
Short Description corps celeri
Formula C13 H22 O2
CAS Number 71566-53-5
ECHA Number 275-638-8
FDA UNII Search
xLogP3-AA 2.70 (est)
NMR Predictor External link
Synonyms
  • corps celeri
  • 2,4-dioxaspiro(5.5)undec-8-ene, 3-ethyl-8,11(or 9,11)-dimethyl-
  • 9-ethyl-1,4-dimethyl-8,10-dioxaspiro(5.5)undec-3-ene
  • 9-ethyl-1,4-dimethyl-8,10-dioxaspiro[5.5]undec-3-ene
  • 3-ethyl-11-methyl-2,4-dioxaspiro(5.5)undec-8-en
  • 3-ethyl-8,11(or 9,11)-dimethyl-2,4-dioxaspiro(5.5)undec-8-ene
  • 3-ethyl-8(9),11-dimethyl-2,4-dioxaspiro(5.5)undec-8-ene
  • 9-ethyl-1,4-dimethyl-8,10-dioxaspiro[5.5]undec-3-ene
  • 2,4-Dioxaspiro[5.5]undec-8-ene, 3-ethyl-8,11(or 9,11)-dimethyl-
  • 3-Ethyl-8,11(or 9,11)-dimethyl-2,4-dioxaspiro[5.5]undec-8-ene

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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):Search
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 210.31674194336
Specific gravity @ 25 °C
Pounds per Gallon
Refractive Index 1.477 to 1.481 @ 20 °C
Boiling Point 108 to 110°C @ 6.7 mm Hg
Vapor Pressure 0.005 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 3.264 est
Solubility
alcohol Yes
water, 12.83 mg/L @ 25 °C (est) Yes
water No
Stability
alkalis Unspecified

Organoleptic Properties

Odor Type: Herbal
aromatic, herbal, natural, celery, cumin, humus, forest
Odor strength medium
Substantivity 44 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 100.00 %. aromatic herbal natural celery cumin soil natural forest

Potential Uses

Applications
Odor purposes Celery, Forest, Green, Herbal, Lavender, Woody
Other purposes Natural

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:
oral-mouse LD50 > 3100 mg/kg
Henkel Corporation

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 celery undecene usage levels up to:
2.0000 % in the fragrance concentrate.
Recommendation for celery undecene 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):71566-53-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :172844
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
9-ethyl-1,4-dimethyl-8,10-dioxaspiro[5.5]undec-3-ene
Chemidplus:0071566535