galbanum ketone
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IUPAC name :1-(5,5-dimethyl-1-cyclohexenyl)pent-4-en-1-one
InChI :InChI=1/C13H20O/c1-4-5-8-12(14)11-7-6-9-13(2,3)10-11/h4,7H,1,5-6,8-10H2,2-3H3
InChIKey :OEVIJAZJVZDBQL-UHFFFAOYAG
SMILES :CC1(CCC=C(C1)C(=O)CCC=C)C
cas number :56973-85-4
(EINECS) number :260-486-7
molar refractivity :59.42 ± 0.3 cm3
parachor :495.6 ± 6.0 cm3
index of refraction :1.472 ± 0.02
surface tension :29.8 ± 3.0 dyne/cm
density :0.906 ± 0.06 g/cm3
polarizability :23.55 ± 0.5 10-24cm3
XlogP : 3.80
molecular weight : 192.2973000 (IUPAC)
formula :C13 H20 O
NMR Predictor :Predict
 
 
export tariff code :2914.29.0000
fda reg :unspecified

Suppliers :
Firmenich :DYNASCONE®
≥90%
Odor:  Green, fruity, floral. An extremely powerful and diffusive material that has an odour reminiscent of galbanum, with a pineapple and hyacinth character.
Firmenich :NEOBUTENONE® ALPHA
≥98%
Odor:  Intense green galbanum odor with an earthy, ozonic, pineapple note.
IFF :Galbascone High Alpha
82% Alpha Isomer
IFF :Galbascone
≥95% (sum of isomers)
Odor:  Intense green galbanum odor with an earthy, ozonic, pineapple note.
Penta :1-(5,5-dimethyl-1-cyclohexen-1-yl)-4-penten-1-one
Vigon :Dynascone
Odor:  GREEN, HERBACEOUS
Vigon :Dynascone
10% DIPG
Odor:  SHARP, GREEN, HERBACEOUS
Vigon :Neobutenone Alpha
Vigon :Neobutenone Alpha
10% DIPG

organoleptics :
odor type :green
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
green galbanum floral pineapple fruity hyacinth
substantivity :> 48 hour(s) at 100.00 %

properties :
appearence :pale yellow to yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.92100 to 0.93100 @ 20.00 °C.
pounds per gallon - calc. : 7.673 to 7.756
refractive index :1.48700 to 1.49200 @ 20.00 °C.
boiling point : 268.00 to 269.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
flash point : 235.00  °F.  TCC  ( 112.78 °C. )
logP (o/w) : 4.45
shelf life : 12.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :
most important hazard(s) :Xi - Irritant
  R 43 - May cause sensitisation by skin contact.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Human experience : no skin, eye, irritation or sensitization at 10%.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >2000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
IFRA critical Effect :Sensitization
recommendation for galbanum ketone usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for galbanum ketone usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 1-(5,5-dimethyl-1-cyclohexenyl)pent-4-en-1-one
(EINECS) number :260-486-7
chemidplus :056973854
EPA Substance Registry Services :56973-85-4

references :
 1-(5,5-dimethyl-1-cyclohexenyl)pent-4-en-1-one
pubchem :669501

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
neobutenone alpha
 dimethyl cyclohexenyl 3-butenyl ketone
1-(5,5-dimethyl-1-cyclohexen-1-yl) pent-4-en-1-one
1-(5,5-dimethyl-1-cyclohexenyl)pent-4-en-1-one
 dynascone
 galbascone

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl isovalerate
para-anisaldehyde
 benzoin resinoid
 benzyl acetate
 bergamot oil
 blood orange oil
 caramel furanone
 cardamom seed oil
 citral
 coriander seed oil
 cyclamen aldehyde
gamma-decalactone
 decanol
 diethyl malonate
 dihydrojasmone
 dihydromyrcenol
 dimethyl anthranilate
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dodecanal
 ethyl acetoacetate
 ethyl cinnamate
 ethyl heptanoate
 floral pyranol
 galbanum oil
 galbanum oxyacetate
 geraniol
 green acetate
 heliotropyl acetone
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl salicylate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
2,4-ivy carbaldehyde
 leerall
 linalool
laevo-linalool
 linalool oxide
 melon heptenal
 methyl dihydrojasmonate
2-methyl undecanal
 musks
beta-naphthyl ethyl ether
 nerolidol
(E,Z)-2,6-nonadien-1-ol
 nonanol
 ocean propanal
 orange oil
 osmanthus absolute
 phenethyl isovalerate
 phenethyl propionate
 raspberry ketone acetate
 rose butanoate
 rose oxides
 santall
 styralyl acetate
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrolinalool
para-tolyl aldehyde
gamma-undecalactone
 violet leaf absolute
 watermelon ketone
 ylang ylang oil

(odor and/or flavor) used in :
 apple
 apple red apple
 apricot
 blueberry whortleberry red whortleberry
 bouquet
 bramble arctic bramble
 chamomile
 christmas blends
 chypre
 cloudberry bakeapple
 coconut tropical coconut
 fern fougere
 fig
 floral
 fruit
 fruit jam
 fruit juicy fruit
 fruit punch
 fruit tropical fruit
 galbanum
 green
 herbal
 honeysuckle chevrefeuille
 hyacinth jacinthe
 jasmin
 lavender
 lilac lilas syringa
 mango
 melon watermelon muskmelon cantaloupe
 papaya
 passion fruit
 pina colada
 pineapple
 plum greengage plum
 plum mirabelle plum
 pomegranate
 quince
 raspberry
 rose
 spice
 strawberry
 tomato
 tropical
 tutti frutti
 woody

natural occurrence in :
not found in nature



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