rhodinyl propionate
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Notes :
Gives depth to fragrances.
 
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IUPAC name :3,7-dimethyloct-7-enyl propanoate
InChI :InChI=1/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h12H,2,5-10H2,1,3-4H3
InChIKey :HIOFEMJTKIEZFX-UHFFFAOYAC
SMILES :CCC(=O)OCCC(C)CCCC(=C)C
cas number :105-89-5
(EINECS) number :203-343-6
fema number :2986
coe number :422
jecfa number :64
fl. number :09.141
molar refractivity :63.57 ± 0.3 cm3
parachor :556.6 ± 4.0 cm3
index of refraction :1.438 ± 0.02
surface tension :28.0 ± 3.0 dyne/cm
density :0.877 ± 0.06 g/cm3
polarizability :25.20 ± 0.5 10-24cm3
XlogP : 4.30
molecular weight : 212.3284600 (IUPAC)
formula :C13 H24 O2
NMR Predictor :Predict
 
 
export tariff code :2915.50.3000
fda reg :172.515
Suppliers :
Penta :rhodinyl propionate
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		rose geranium verbena
properties :
appearence :colorless clear oily liquid
assay : 94.00 to 100.00 %   
equivalence factor for assay :106.16
Food Chemicals Codex Listed :No
specific gravity :0.91000 @ 15.50 °C.
refractive index :1.45700 @ 20.00 °C.
boiling point : 255.00 °C. @ 760.00 mm Hg
boiling point : 122.00 °C. @ 14.00 mm Hg
flash point : 193.00  °F.  TCC  ( 89.44 °C. )
logP (o/w) : 4.82
safety :
most important hazard(s) :Xi - Irritant
  R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 36 - Wear suitable protective clothing.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
(Moreno, 1976h)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 901, 1979.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for rhodinyl propionate fragrance usage levels up to :
  4.0000 % in the fragrance concentrate.
recommendation for rhodinyl propionate flavor usage levels up to :
  6.0000 ppm in the flavor.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
3,7-dimethyloct-7-enyl propanoate
(EINECS) number :203-343-6
chemidplus :000105895
EPA Substance Registry Services :105-89-5
references :
 
3,7-dimethyloct-7-enyl propanoate
fl. number :09.141
jecfa number :64
pubchem :150873
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
3,7-dimethyl-6 or 7-octen-1-yl propanoate
3,7-dimethyl-6 or 7-octen-1-yl propionate
3,7-dimethyl-7-octen-1-ol propanoate
3,7-dimethyloct-7-enyl propanoate
 rhodinyl propanoate
Similar Products:    note
 allyl propionate
 allyl thiopropionate
 amyl propionate
isoamyl propionate
para-anisyl propionate
 benzyl propionate
 bornyl propionate
isobornyl propionate
 butyl propionate
isobutyl propionate
tert-butyl propionate
 carvyl propionate
 cinnamyl propionate
 citronellyl propionate
para-cresyl propionate
 cyclohexyl propionate
 cyclotene propionate
 decyl propionate
 dewy propionate
 dicyclopentadiene propionate
 dimethyl benzyl carbinyl propionate
 dodecyl propionate
 ethyl propionate
 eugenyl propionate
 furfuryl propionate
 furfuryl thiopropionate
 geranyl propionate
 guaiacyl propionate
 heptyl propionate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl propionate
 hexyl propionate
 linalyl propionate
 maltyl propionate
 menthyl propionate
laevo-menthyl propionate
2-methyl butyl propionate
 methyl propionate
 nerolidyl propionate
 neryl propionate
 nonisyl propionate
 nonyl propionate
(Z)-3-octen-1-yl propionate
(Z)-5-octen-1-yl propionate
 octyl propionate
 phenethyl propionate
 phenoxyethyl propionate
3-phenyl propyl propionate
 propyl propionate
isopropyl propionate
 sorbyl propionate
 styralyl propionate
 sulfuryl propionate
 terpinyl propionate
 tetrahydrofurfuryl propionate
 tricyclodecenyl propionate
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
potential blenders :    note
 allyl isononylateFR
isoamyl undecylenateFL/FR
para-anisyl alcoholFL/FR
 benzophenoneFL/FR
 benzyl alcoholFL/FR
 benzyl isobutyrateFL/FR
 butyl angelateFL/FR
 butyl benzyl etherFL/FR
 cassis buteneoneFL/FR
 citronellal diisotridecyl acetalFR
laevo-citronellolFL/FR
 citronellyl acetateFL/FR
laevo-citronellyl acetateFL/FR
 citronellyl anthranilateFL/FR
 citronellyl benzoateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl isobutyrateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 cyclohexyl propanolFR
beta-damascenoneFL/FR
(E)-alpha-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
delta-damasconeFL/FR
gamma-damasconeFR
(E,Z)-2,4-decadien-1-al 
isodecanalFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 dihydrorose oxideFR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl octanyl acetateFL/FR
 diphenyl methaneFL/FR
 diphenyl oxideFL/FR
 ethyl linalyl acetateFR
 ethyl nonanoateFL/FR
 ethyl ortho-anisateFL/FR
(E)-ethyl tiglateFL/FR
 farnesyl acetateFL/FR
 floral pyranFR
 geraniolFL/FR
 geranium cyclohexaneFL/FR
 geranium dihydropyranFR
 geranium nitrileFR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 geranium pyranFR
 geranium thiazoleFL/FR
 geranyl acetateFL/FR
 geranyl butyrateFL/FR
 geranyl hexanoateFL/FR
 geranyl isobutyrateFL/FR
(E)-geranyl linaloolFL/FR
 geranyl nonanoateCS
 geranyl octanoateFL/FR
 geranyl propionateFL/FR
 geranyl tiglateFL/FR
 geranyl valerateFL/FR
 hawthorn ethanolFR
2-heptyl tetrahydrofuranFR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl phenyl acetateFL/FR
 linalyl formateFL/FR
 methyl 10-undecenalFL/FR
 methyl citronellateFL/FR
2-methyl octanalFL/FR
 musk acetateFR
 neryl acetateFL/FR
 neryl isovalerateFL/FR
 nonanal diethyl acetalFL/FR
 nonanolFL/FR
 octyl formateFL/FR
 peony acetonitrileFR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl pivalateFL/FR
 phenethyl propionateFL/FR
 phenethyl salicylateFL/FR
 phenethyl valerateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde digeranyl acetalFR
 phenyl acetic acidFL/FR
 rhodinyl butyrateFL/FR
 rose acetateFR
(Z)-rose oxideFL/FR
laevo-rose oxideFL/FR
 santalyl butyrateFL/FR
 strawberry glycidate 2FL/FR
 styralyl propionateFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
potential uses :
 almond
 depth
 geranium
 plum
 verbena verveine
natural occurrence in :    note
 not found in nature  

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