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chrysanthemum ketone

Chemical Structure

General Material Information

Preferred name chrysanthemum ketone
Trivial Name 1-(2,4-Dimethyl-3-cyclohexen-1-yl)-2,2-dimethyl-1-propanone
Short Description chrysantheme (Symrise)
Formula C13 H22 O
CAS Number 69929-17-5
ECHA Number 274-223-9
FDA UNII 15047ZP82F
Nikkaji Number J318.093J
xLogP3-AA 3.10 (est)
NMR Predictor External link
Synonyms
  • chrysantheme (Symrise)
  • chrysantheme 10% in TEC (Symrise)
  • dimethyl cyclohexenyl tert-butyl ketone
  • 1-(2,4-dimethyl-1-cyclohex-3-enyl)-2,2-dimethylpropan-1-one
  • 1-(2,4-dimethyl-3-cyclohexen-1-yl)-2,2-dimethyl-1-propanone
  • 1-(2,4-dimethyl-3-cyclohexenyl)-2,2-dimethyl propan-1-one
  • 1-(2,4-dimethyl-3-cyclohexenyl)-2,2-dimethylpropan-1-one
  • 1-(2,4-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-one
  • 1-propanone, 1-(2,4-dimethyl-3-cyclohexen-1-yl)-2,2-dimethyl-
  • 1-(2,4-dimethyl-1-cyclohex-3-enyl)-2,2-dimethylpropan-1-one
  • 1-Propanone, 1-(2,4-dimethyl-3-cyclohexen-1-yl)-2,2-dimethyl-
  • 1-(2,4-Dimethyl-3-cyclohexen-1-yl)-2,2-dimethyl-1-propanone
  • 1-(2,4-Dimethyl-3-cyclohexenyl)-2,2-dimethylpropan-1-one

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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:2914.29.50
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 194.31753540039
Specific gravity @ 25 °C
Pounds per Gallon 7.514 to 7.522
Boiling Point 258 to 259°C @ 760 mm Hg
Vapor Pressure 0.014 mmHg @ 25 °C
Vapor Density 6.7
Flash Point TCC Value 97.78 °C TCC
logP (o/w) 3.987 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 13.45 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Herbal
herbal, floral, chrysanthemum, grapefruit
Odor strength medium
Substantivity 56 hour(s) at 100.00 %
General comment At 100.00 %. herbal floral chrysanthemum grapefruit
Stable in: body lotion (good), shampoo (very good), soap (very good), ap roll-on (good), powder (good), cleaner citric (poor), cleaner apc (very good), bleach (poor). Intensive green, somewhat herbaceous with fruity shades, reminiscent of chrysanthemum leaves

Potential Uses

Applications
Odor purposes Balsam , Chrysanthemum , Green , Herbal , Moss , Orchid

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
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 36 - Wear suitable protective clothing.
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-rat LD50 > 2000 mg/kg

Dermal Toxicity:
skin-rabbit LD50 > 2000 mg/kg

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 chrysanthemum ketone usage levels up to:
3.0000 % in the fragrance concentrate.
Recommendation for chrysanthemum ketone 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):69929-17-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :112185
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-(2,4-dimethyl-1-cyclohex-3-enyl)-2,2-dimethylpropan-1-one
Chemidplus:0069929175