EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

chrysanthemum ketone
chrysantheme (Symrise)

Sponsors

Name:1-(2,4-dimethyl-1-cyclohex-3-enyl)-2,2-dimethylpropan-1-one
CAS Number: 69929-17-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:274-223-9
Nikkaji Web:J318.093J
XlogP3-AA:3.10 (est)
Molecular Weight:194.31754000
Formula:C13 H22 O
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.90300 to 0.90400 @ 25.00 °C.
Pounds per Gallon - (est).: 7.514 to 7.522
Boiling Point: 258.00 to 259.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.014000 mm/Hg @ 25.00 °C. (est)
Vapor Density:6.7 ( Air = 1 )
Flash Point: 208.00 °F. TCC ( 97.78 °C. )
logP (o/w): 3.987 (est)
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 water, 13.45 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:medium
Substantivity:56 hour(s) at 100.00 %
herbal floral chrysanthemum grapefruit
Odor Description:at 100.00 %. herbal floral chrysanthemum grapefruit
Odor and/or flavor descriptions from others (if found).
Symrise
Chrysantheme
Odor Description:intensive green, somewhat herbaceous with fruity shades, reminiscent of chrysanthemum leaves
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).
 
Cosmetic Information:
None found
 
Suppliers:
Indukern F&F
CHRYSANTHEM
Odor: GREEN, FLORAL, CHRYSANTHEMUM LEAVES, GRAPEFRUIT
Symrise
Chrysantheme
Odor: intensive green, somewhat herbaceous with fruity shades, reminiscent of chrysanthemum leaves
Use: 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).
 
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
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).

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

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
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
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
 
References:
 1-(2,4-dimethyl-1-cyclohex-3-enyl)-2,2-dimethylpropan-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:69929-17-5
Pubchem (cid):112185
Pubchem (sid):135069421
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
aldehydic
agrumen nitrile
FR
6,7,8-
decen-1-ol
FR
3-
methyl-4-hexyl oxybutyraldehyde
FR
muguet undecadienal
FR
animal
iso
butyl quinoline
FR
balsamic
christmas
pine fragrance
FR
citrus
acetaldehyde citronellyl methyl acetal
FR
citrus floral green fragrance
FR
iso
decyl acetate
FR
2,4-
dimethyl-3-cyclohexene-1-methanyl acetate
FR
grapefruit pentanol
FR
floral
anisyl propanal / methyl anthranilate schiff's base
FR
butyl tiglate
FR
cassis cyclohexene
FR
cassis oxime 10%
FR
cumin carbinol
FR
cymbopogon validus leaf oil
FR
dictamnus hispanicus oil
FR
dihydrocitronellyl ethyl ether
FR
dihydroisojasmonate methyl ester
FR
dihydromyrcene
FR
dihydrorose oxide
FR
6,8-
dimethyl-2-nonanol
FR
2,4-
dimethyl-3-cyclohexene-1-methanol
FR
eau de brouts absolute
FR
ethyl phenoxyacetate
FR
floral butanal
FR
floral undecenone
FR
gardenia absolute
FR
gardenia acetal
FR
gardenia concrete
FR
heather fragrance
FR
heliotrope absolute
FR
(Z)-4-
hepten-2-yl salicylate
FR
herbal pyran
FR
ho leaf oil
FR
hyacinth oil
FR
hydrangea fragrance
FR
jasmin cyclopentanol
FR
jonquil absolute
FR
karo karounde absolute
FR
lavandin concrete decolorized
FR
lavender absolute replacer
FR
lavender oil replacer
FR
lilac absolute
FR
lily fragrance
FR
lily propanol
FR
linden flower absolute
FR
lotus fragrance
FR
magnolia indene
FR
melaleuca ericifolia leaf oil
FR
(2-
methoxy-1-methyl propyl) benzene
FR
(3-
methoxy-2-methyl propyl) benzene
FR
1-(2-
methyl allyl oxy)-2-methyl butane
FR
nonisyl propionate
FR
ocean propanal / methyl anthranilate schiff's base
FR
orchid specialty
FR
pelargonium graveolens flower water
FR
2-
pentyl cyclopentanone
FR
phenyl acetaldehyde dicitronellyl acetal
FR
2-
phenyl propionaldehyde ethylene glycol acetal
FR
rose pyran
FR
sambucus nigra flower oil CO2 extract
FR
sweet pea absolute
FR
tetrahydrolinalyl acetate
FR
5-
tricyclodecenyl acetate
FR
(S,E)-3,7,11-
trimethyldodeca-6,10-dienal
FR
verdyl acetate
FR
violet methyl carbonate
FR
fresh
3-(3-
propen-2-yl phenyl) butanal
FR
fruity
3-
butyl bicyclo[3.2.1]-6-octen-2-one
FR
cyclohexyl crotonate
FR
peach pivalate
FR
tropical indene
FR
fungal
jasmin nonane
FR
green
agrumen aldehyde
FR
birch leaf specialty
FR
carrot leaf oil (daucus carota ssp.maximus)
FR
chrysanthemum carbaldehyde
FR
3,5,6-neo
cyclocitral
FR
flower hexene
FR
green cyclopropionate
FR
green dioxolane
FR
(Z)-3-
hexen-1-yl angelate
FR
hexen-1-yl oxypropane nitrile
FR
ivy carbaldehyde / methyl anthranilate schiff's base
FR
ivy dioxolane
FR
english
ivy leaf absolute
FR
(2-
methoxy-1-methyl butyl) benzene
FR
[(4E,4Z)-5-
methoxy-3-methyl-4-penten-1-yl] benzene
FR
methyl cyclocitrone (IFF)
FR
4-
methyl-4-phenyl pentanone
FR
octyl oxyacetaldehyde
FR
pelargonium graveolens stem leaf extract
FR
3-
propyl bicyclo(3.2.1)-6-octen-2-one
FR
triplal / ethyl anthranilate schiff's base
FR
herbal
artemisia alba oil
FR
calendula officinalis flower oil CO2 extract
FR
cananga fruit oil
FR
carrot seed oil (daucus carota ssp. gummifer hook. fil.) spain
FR
chamomile isobutyrate
FR
chrysanthemum fragrance
FR
chrysanthemum indicum absolute
FR
chrysanthemum specialty
FR
dihexyl (E)-fumarate
FR
2-(2,4-
dimethyl-3-cyclohexene-1-yl)-4,4-dimethyl-1,3-oxathiane
FR
ethyl chrysanthemate
FR
cis-
herbal cyclohexane
FR
herbal dioxane
FR
herbal heptane
FR
inula root oil
FR
lantana camara flower oil
FR
lavandin flower water
FR
lavender stem oil lithuania
FR
1-(2-
methyl allyl oxy) heptane
FR
methyl cyclogeranate (Firmenich)
FR
monarda fistulosa oil
FR
nonisyl acetate
FR
nonisyl formate
FR
oregano specialty
FR
phenyl acetaldehyde diisoamyl acetal
FR
reseda absolute
FR
tagette carboxylate
FR
tricyclodecyl acetate
FR
marine
marine hexane
FR
medicinal
kunzea ericoides leaf oil
FR
mossy
treemoss absolute
FR
pine
dipentene terpene hydrocarbon byproducts
FR
soapy
methyl anthranilate / hexyl cinnamaldehyde schiff's base
FR
spicy
carnation absolute
FR
iso
cyclogeraniol (IFF)
FR
outdoors specialty
FR
spicy carbonate
FR
woody
dalbergia sissoo leaf oil
FR
diethyl dimethyl-2-cyclohexenone
FR
verdoxan
FR
zdravetz absolute
FR
For Flavor
 
Potential Uses:
FRbalsam
FRchrysanthemum chrysantheme
FRgreen
FRherbal
FRoakmoss mousse de chene moss
FRorchid
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 chrysantheme (Symrise)
 chrysantheme 10% in TEC (Symrise)
 chrysanthemum ketone
 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-
 

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