citronellyl acetate
Notes :
Imparts freshness. Will sweeten almost any perfume. peach enhancer.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :3,7-dimethyloct-6-enyl acetate
InChI :InChI=1/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
InChIKey :JOZKFWLRHCDGJA-UHFFFAOYAB
SMILES :CC(CCC=C(C)C)CCOC(=O)C
(EINECS) number :205-775-0
cas number :150-84-5
beilstein number :1723886
fema number :2311
coe number :202
jecfa number :57
fl. number :09.012
molar refractivity :59.27 ± 0.3 cm3
parachor :515.0 ± 4.0 cm3
index of refraction :1.442 ± 0.02
surface tension :28.0 ± 3.0 dyne/cm
density :0.885 ± 0.06 g/cm3
polarizability :23.49 ± 0.5 10-24cm3
xlogp : 4.00
molecular weight : 198.3018800
formula :C12 H22 O2
BioActivity Analysis :71091
 
 
fda reg :172.515 h. number :2915.39.9050
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
floral green rose fruity citrus woody tropical fruit
taste description³ :at 1.00 - 5.00 ppm.  
Floral, waxy, aldehydic, with green fruity nuances. Fruity pear and apple like
substantivity :8 hour(s) at 100.00 %
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.88300 - 0.89300 @ 25.00 °C.
pounds per gallon - calc. : 7.347 to 7.431
specific gravity :0.88400 - 0.89200 @ 20.00 °C.
pounds per gallon - calc. : 7.364 to 7.431
refractive index :1.43100 - 1.49600 @ 20.00 °C.
boiling point : 229.00 °C. @ 760.00 mm Hg
boiling point : 119.00 - 121.00 °C. @ 15.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 4.22
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.
safety : 
most important hazard(s) : Xi N - Irritant, Dangerous for the environment.
  
Oral Toxicity(LD50) : Oral-Rat    7200.00  mg/kg  PHARAT  14,435,1959
Gavage-Rat   [sex: M/F]  6800.00  mg/kg    (Calandra, 1971)
Dermal Toxicity(LD50) : Skin-Rabbit  4700.00  mg/kg  FCTXAV  11,1067,1973
Maximised Survey-derived Daily Intakes (MSDI) :190.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 218.00  °F.  TCC  ( 103.33 °C. )
  
recommendation for citronellyl acetate usage levels up to :
  50.0000 % in the fragrance concentrate.
  
recommendation for citronellyl acetate usage levels up to :
  600.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :205-775-0
rtecs :GE8750000 for 150-84-5
chemidplus :000150845
epa-srs :150-84-5
dtp/nci :4893
  
other : 
  C of A
references : 
pubchem :152197
NIST Chemistry WebBook :1667877611
  
reference : Mosciano, Gerard P&F 25, No. 6, 26, (2000)³
synonyms :
 acetic acid 3,7-dimethyl-6-octenyl ester
 acetic acid citronellyl ester
1-acetoxy-3,7-dimethyl oct-6-ene
 citronellol acetate
 citronellyl acetate
 citronellyl ethanoate
(1)-3,7-dimethyl oct-6-enyl acetate
3,7-dimethyl-6-octen-1-yl acetate
3,7-dimethyl-6-octen-1-yl ethanoate
soluble in :
 alcohol
 fixed oils
 paraffin oil
insoluble in :
 water
 propylene glycol
 glycerin
stability :
 antiperspirant
 bleach
 deo stick
 detergent perborate
 fabric softener
 hair spray
 hard surface cleaner
 non-discoloring
 shampoo
 soap
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 allyl amyl glycolate
 allyl cyclohexyl propionate
isoamyl acetate
isoamyl butyrate
alpha-amyl cinnamaldehyde
isoamyl isovalerate
isoamyl salicylate
 amyris wood oil
 angelica root oil
 benzyl acetate
 benzyl isobutyrate
 bergamot oil
 blood orange oil
 bois de rose oil
 citronellol
 citrus carbaldehyde
 clover nitrile
 coriander seed oil
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 diethyl malonate
 dihydromyrcenol
 dodecanal dimethyl acetal
 ethyl acetoacetate
 ethyl butyrate
 ethyl heptanoate
 eucalyptus oil
 floral pyranol
 galbanum oil
 gardenia oxide
 geraniol
 geranium oil
 geranyl acetate
 grapefruit oil
 grapefruit pentanol
 green acetate
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl butyrate
(Z)-3-hexen-1-yl formate
 hexyl 2-methyl butyrate
 hexyl acetate
 hexyl isovalerate
 hexyl tiglate
2,4-ivy carbaldehyde
 lavender oil
 lemon oil
 lime oil
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 melon heptenal
 melon nonenoate
 methyl heptenone
 nerol
 neroli oil
 neryl acetate
 nonanal
 nonanol
 nopyl acetate
 ocean propanal
 octanal
 orange oil
 orange oil bitter
 peony alcohol
 phenethyl acetate
 rhodinol
 rose absolute
 rose butanoate
 rose oxides
 spruce oil
 styralyl acetate
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrolinalool
 verbena oil
 violet methyl carbonate
 woody acetate
 woody propanol
(odor and/or flavor) used in :
 abronia
 agrumen
 aldehydic
 angel
 apple
 apple blossom
 apple crabapple
 apple green apple
 apple red apple
 apricot
 banana
 bergamot
 berry
 blossom tropical blossom
 blueberry
 boysenberry
 calamus
 carnation dianthus oeillet
 cedrat
 cherry black cherry
 cherry blossom
 cherry wild cherry
 chestnut blossom
 chrysanthemum chrysantheme
 citronella
 citrus
 clary sage
 clover trefle le'trefle incarnat
 coconut tropical coconut
 cologne
 colonia
 coriander
 cortex
 crabapple blossom
 cranberry
 cucumber
 curacao
 cyclamen
 fern fougere
 floral
 florida breeze
 foliage
 forest
 freesia
 geranium
 gooseberry
 grape
 grapefruit
 grass green grass
 green
 greenhouse
 hay new mown hay foin coupe
 honey miel
 hydrangea
 ivy leaf
 jasmin
 kiwi blossom
 kumquat
 lavender
 leaf green leaf
 lemon
 lettuce
 lily
 linden blossom limeflower tilleul
 lychee soapberry
 magnolia
 mango
 mango blossom
 melissa balm
 mint
 muguet lily of the valley
 nectarine
 neroli
 ocean sea
 orange
 orange mock orange
 orchid
 papaya
 passion fruit
 peach
 pear
 pear prickly pear
 peony
 petal flower petal
 petitgrain
 plum
 pomegranate
 potpourri
 quince
 rain
 rain spring rain
 rhubarb
 rose
 rose moss rose
 rose red rose
 rose white rose
 rose wild rose
 strawberry
 strawberry leaf
 sweet pea pois de senteur
 tangerine
 tea
 tomato leaf
 tulip
 verbena verveine
 woodruff asperula
natural occurrence in :
data pagealpinia galanga oil @ 1.60%
data pagebergamot oil @ 0.007-0.053%
data pagebergamot oil turkey @ 0.05%
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.005%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.005%
data pageblood orange oil italy @ 0.006%
data pagecassie absolute @ 0.13%
data pagecassis bud oil @ trace-0.42%
citronella ceylon
data pagecitronella oil ceylon @ 1.10%
data pagecitronella oil china @ 1.01%
data pagecitronella oil java @ 1.88%
currant black currant
data pageeucalyptus citriodora oil @ 0.02%
data pagefrankincense oil somalia @ trace%
geranium
data pagegeranium leaf oil india @ 0.50%
data pagegeranium petiole oil india @ 1.27%
data pagegeranium rose-scented oil (pelargonium spp.) cuba @ 0.10%
data pagegeranium stem oil india @ 2.81%
data pageginger root oil china @ 0.29%
grapefruit
data pagegrapefruit oil c.p. @ 0.01%
data pagegrapefruit oil c.p. russia @ 0.03%
data pagegrapefruit oil c.p. russia @ 0.04%
data pagegrapefruit oil c.p. russia @ 0.05%
data pagegrapefruit oil c.p. russia @ 0.05%
data pagegrapefruit oil california @ 0.03%
data pagegrapefruit oil CO2 extract @ 0.04%
data pageheracleum candolleanum rhizome oil india @ 1.20%
lavender oil
data pagelavender oil france @ 0.22%
lemon
data pagelemon oil california @ 0.03%
data pagelemongrass oil @ 0.10%
data pagelime oil distilled peru @ trace%
data pagelime oil expressed florida @ trace%
mandarin
data pagemandarin oil uruguay @ trace%
data pagemicrostrobos fitzgeraldii leaf oil australia @ 0.20%
data pagemikan peel oil @ 0.03%
mushroom
data pageorange oil c.p. brazil @ trace%
data pageorange peel oil bitter brazil @ trace%
data pageorange peel oil sweet c.p. blond italy @ 0.003%
data pageorange peel oil sweet c.p. blond italy @ 0.004%
data pageorange peel oil sweet c.p. blond italy @ 0.004%
data pageorange peel oil sweet c.p. blond italy @ 0.005%
data pageorange peel oil sweet c.p. blond italy @ 0.005%
passion fruit
data pagepetitgrain bergamot oil @ 0.42%
data pagepetitgrain bigarade oil @ 0.10%
data pagepetitgrain combava oil @ 0.90%
data pagepetitgrain sweet oil @ 0.70%
data pagerose absolute morocco @ 0.20%
data pagerose oil otto bulgaria @ 0.45%
tarragon
data pagevalerian root oil @ trace-0.1%
data pageverbena oil france @ 0.60%
wine



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