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chamomile octenone

General Material Information

Preferred name chamomile octenone
Trivial Name (E)-2,7-dimethyloct-5-en-4-one
Short Description isotagetone
Formula C10 H18 O
CAS Number 68419-46-5
CAS Number 68419-46-5 (Z)
ECHA Number 270-267-8
FDA UNII 5L2NZP42Y7
Nikkaji Number J1.954.849J
xLogP3-AA 2.80 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • 2,7-dimethyl oct-5-en-4-one
  • 2,7-dimethyl-5-octen-4-one
  • (E)-2,7-dimethyl-oct-5-en-4-one
  • 2,7-dimethyl-oct-5-en-4-one
  • (5E)-2,7-dimethyloct-5-en-4-one
  • (E)-2,7-dimethyloct-5-en-4-one
  • 2,7-dimethyloct-5-en-4-one
  • 5-octen-4-one, 2,7-dimethyl-
  • 5-octen-4-one,2,7-dimethyl-
  • iso tagetone

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):Search
Export Tariff Code:3302.90.0000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 154.2526550293
Specific gravity @ 20 °C
Pounds per Gallon 7.014 to 7.039
Refractive Index 1.439 to 1.442 @ 20 °C
Boiling Point 209 to 210°C @ 760 mm Hg
Vapor Pressure 0.19 mmHg @ 25 °C
Flash Point TCC Value 85 °C TCC
logP (o/w) 2.851 est
Solubility
alcohol Yes
water, 154.5 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Herbal
tagette, chamomile, animal, fruity
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 16 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 10.00 % in dipropylene glycol. tagette chamomile animal fruity

Potential Uses

Applications
Odor purposes Aldehydic, Chamomile, Chypre, Citrus, Geranium, Grapefruit, Green, Lavender, Marigold, Neroli, Oriental, Rose
Flavoring purposes Marigold
Other purposes Natural
Cosmetic purposes Perfuming agents

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 chamomile octenone usage levels up to:
5.0000 % in the fragrance concentrate.
Recommendation for chamomile octenone 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):68419-46-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :1738173
National Institute of Allergy and Infectious Diseases:Data
(E)-2,7-dimethyloct-5-en-4-one
Chemidplus:0068419465
(Z)-2,7-dimethyloct-5-en-4-one