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pineapple heptadienone 10%

Chemical Structure

General Material Information

Preferred name pineapple heptadienone 10%
Trivial Name 2-Cyclohexyl-1,6-heptadien-3-one
Short Description pharaone 10% (Givaudan)
Formula C13 H20 O
CAS Number 313973-37-4
FDA UNII Search
Nikkaji Number J3.263.828G
xLogP3-AA 4.10 (est)
NMR Predictor External link
Synonyms
  • 2-cyclohexyl-1,6-heptadien-3-one
  • 2-cyclohexylhepta-1,6-dien-3-one
  • 1,6-heptadien-3-one, 2-cyclohexyl-
  • pharaone 10% (Givaudan)
  • 1,6-Heptadien-3-one, 2-cyclohexyl-
  • 2-Cyclohexyl-1,6-heptadien-3-one
  • Pharaone

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Literature & References

2-cyclohexyl-1,6-heptadien-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):15897831
Pubchem (sid):135265678
Publications by US Patents
6,184,419 - alpha., .beta.-unsaturated ketones

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
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 192.30160522461
Vapor Pressure 0.024 mmHg @ 20 °C
Flash Point TCC Value 112.22 °C TCC
logP (o/w) 3.52
Solubility
alcohol Yes
water, 6.081 mg/L @ 25 °C (est) Yes
Stability
alcoholic - good Unspecified
antiperspirant spray - good Unspecified
APC (pH = 10) - good Unspecified
candles - good Unspecified
damp fabric - good Unspecified
dry fabric - moderate Unspecified
liquid bleach - poor Unspecified
pH = 2 - moderate Unspecified
powder detergent - good Unspecified
powder detergent + activator - moderate Unspecified
soap - good Unspecified
toiletries - good Unspecified

Organoleptic Properties

Odor Type: Green
sweet, green, galbanum, fruity, pineapple, tropical, orchid, metallic, weedy, herbal
Odor strength high , recommend smelling in a 10.00 % solution or less
Substantivity 196 hour(s) at 10.00 % in dipropylene glycol
Luebke, William tgsc, (2016) At 10.00 % in dipropylene glycol. sweet green galbanum fruity pineapple tropical orchid metallic weedy herbal
Pharaone 10% is extremely powerful and diffusive . It gives freshness and lift to the top and mid notes. Pharaone 10% has a new fruity green, natural aspect which adds value to both consumer products and fine fragrance creation. It is suitable in all kind of accords, especially citrus, floral, fruity, green, woody, agrestic and fougère. Green, Pineapple, Fruity, Herbaceous
Pharaone is a very powerful material even at 10% in DPG, as supplied by the manufacturer Givaudan, it is extremely useful for adding freshness, and a lasting pineapple quality to fragrances. Green-herbal, fruity-pineapple. Diffusive. Powerful

Safety Information

Safety information

European information :
Most important hazard(s):
Xi N - Irritant, Dangerous for the environment.
R 38 - Irritating to skin.
R 41 - Risk of serious damage to eyes.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 39 - Wear eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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 pineapple heptadienone 10% usage levels up to:
2.5000 % in the fragrance concentrate.
Recommendation for pineapple heptadienone 10% 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):313973-37-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15897831
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3082
WGK Germany:2
2-cyclohexyl-1,6-heptadien-3-one
Chemidplus:0313973374