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General Material Information

Preferred name (E,E)-5,6,7,7-tetramethyl-2,5-octadien-4-one
Trivial Name (2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one
Short Description (2E,5E)-5,6,7,7-tetramethyl-2,5-octadien-4-one
Formula C12 H20 O
Nikkaji Number J1.589.130K
xLogP3-AA 3.90 (est)
NMR Predictor External link
Synonyms
  • (2E,5E)-5,6,7,7-tetramethyl-2,5-octadien-4-one
  • (2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one

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Literature & References

(2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11008539
Pubchem (sid):76913593
Publications by US Patents
6,723,313 - 2-,5-,6-,7-,8-substituted oct-2-en-4-ones

Other Information

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 180.2906036377
Vapor Pressure 0.022 mmHg @ 25 °C
Flash Point TCC Value 96.1 °C TCC
logP (o/w) 3.094 est
Solubility
water, 19.28 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Fruity
fruity, apple, fruit dried fruit, celery, jasmin, herbal
General comment At 1.00 % in dipropylene glycol. fruity, intensively reminiscent of apples, but also strongly reminiscent of dried fruits, having a somewhat celery- and jasmone-like side, and agrestic aspects

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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for (E,E)-5,6,7,7-tetramethyl-2,5-octadien-4-one flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
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Toxicology Citations:Search
Laboratory Chemical Safety Summary :11008539
(2E,5E)-5,6,7,7-tetramethylocta-2,5-dien-4-one