geranyl propionate
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Notes :
Introduces fruitiness in topnotes, also used in gardenia.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :[(2E)-3,7-dimethylocta-2,6-dienyl] propanoate
InChI :InChI=1/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
InChIKey :BYCHQEILESTMQU-FMIVXFBMBB
SMILES :CCC(=O)OC\C=C(/C)\CCC=C(C)C
cas number :105-90-8
(EINECS) number :203-344-1
fema number :2517
coe number :409
jecfa number :62
fl. number :09.128
molar refractivity :63.85 ± 0.3 cm3
parachor :540.8 ± 4.0 cm3
index of refraction :1.459 ± 0.02
surface tension :28.8 ± 3.0 dyne/cm
density :0.900 ± 0.06 g/cm3
polarizability :25.31 ± 0.5 10-24cm3
XlogP : 3.50
molecular weight : 210.3125800 (IUPAC)
formula :C13 H22 O2
NMR Predictor :Predict
 
 
export tariff code :2915.50.3000
fda reg :172.515

Suppliers :
Advanced Biotech :geranyl propionate
92% min. natural
Berje :Geranyl Propionate
Cargill - Alfrebro :GERANYL PROPIONATE (EU NAT)
natural, Kosher
Citrus and Allied Essences :geranyl propionate extra
Elan :geranyl propionate
FCC, Kosher
Fleurchem :geranyl propionate
natural
Frutarom :GERANYL PROPIONATE
≥98.00% (sum of isomers), NI, Kosher
Odor:  Floral, Fresh, Fruity, Rose
Inoue :GERANYL PROPIONATE S
Mooreganics :Geranyl Propionate
Natural (Organic Compliant)
Penta :geranyl propionate
Penta :geranyl propionate
natural
Sigma-Aldrich-SAFC :Geranyl propionate
FCC, Kosher
Odor:  fruity; rose; sweet
Sigma-Aldrich-SAFC :Geranyl propionate
natural, Kosher
Odor:  fruity; rose; sweet
Vigon :Geranyl Propionate
98%
Vigon :Geranyl Propionate
85%
Vigon :Geranyl Propionate
60%

organoleptics :
odor type :floral
odor strength :medium
odor description :¹
at 100.00 %.  
floral fresh waxy fruity rose tropical
odor sample from :Elan Chemical, Inc.
substantivity :76  Hour(s)

properties :
appearence :colorless clear liquid
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.89600 to 0.91300 @ 25.00 °C.
pounds per gallon - calc. : 7.456 to 7.597
specific gravity :0.89700 to 0.90500 @ 20.00 °C.
pounds per gallon - calc. : 7.473 to 7.539
refractive index :1.45600 to 1.46400 @ 20.00 °C.
boiling point : 252.00 to 254.00 °C. @ 760.00 mm Hg
boiling point : 252.00 °C. @ 738.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.02000 mm/Hg @ 20.00 °C.
vapor density :7.2 ( Air = 1 )
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 4.64

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
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 : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg
(Russell, 1973a)

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :69.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :11.00 (μg/capita/day)
Structure Class :I
 
recommendation for geranyl propionate usage levels up to :
  6.0000 % in the fragrance concentrate.
recommendation for geranyl propionate usage levels up to :
  70.0000 ppm in the flavor.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 [(2E)-3,7-dimethylocta-2,6-dienyl] propanoate
(EINECS) number :203-344-1
RTECS :RG5927906 for 105-90-8
chemidplus :000105908
EPA Substance Registry Services :105-90-8
dtp/nci :46138

references :
 [(2E)-3,7-dimethylocta-2,6-dienyl] propanoate
fl. number :09.128
jecfa number :62
NIST Chemistry WebBook :772685111
pubchem :197237

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1994)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(E)-3,7-dimethyl-2,6-octadien-1-ol propionate
(E)-3,7-dimethyl-2,6-octadien-1-yl propanoate
trans-3,7-dimethyl-2,6-octadien-1-yl propanoate
(E)-3,7-dimethyl-2,6-octadien-1-yl propionate
trans-3,7-dimethyl-2,6-octadien-1-yl propionate
(E)-3,7-dimethyl-2,6-octadienyl propanoate
(E)-3,7-dimethyl-2,6-octadienyl propionate
[(2E)-3,7-dimethylocta-2,6-dienyl] propanoate
 geranyl propanoate
(E)-geranyl propionate
(E)-neryl propionate
 propionic acid geranyl ester

soluble in :
 alcohol
 fixed oils

insoluble in :
 water
 propylene glycol
 glycerin

(odor and/or flavor) blends with :
1-acetyl cyclohexyl acetate
isoamyl undecylenate
 benzyl alcohol
 benzyl isobutyrate
 bois de rose oil
 butyl benzyl ether
 butyl phenyl acetate
 citronellyl phenyl acetate
 citronellyl propionate
 cocoa butenal
 cocoa pentenal
 coranol
para-cresyl phenyl acetate
 cubeb oil
 cyclohexyl ethyl alcohol
(E)-alpha-damascone
(E)-beta-damascone
(Z)-alpha-damascone
(Z)-beta-damascone
beta-damascone
gamma-damascone
isodecanal
9-decen-1-al
9-decen-1-ol
(Z)-4-decen-1-yl acetate
 decyl formate
 dihydrocarvyl acetate
 dihydrolinalool
3,6-dimethyl-3-octanol
 ethyl hydrocinnamate
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 ethyl nonanoate
 ethyl phenyl acetate
isoeugenyl phenyl acetate
 farnesyl acetate
 floral pyran
 geraniol
 geranyl acetate
 geranyl butyrate
(E)-geranyl linalool
 globulol
 hawthorn ethanol
 hexyl 2-furoate
 ho leaf oil
 ho wood oil
 hyacinth acetal
 hydroxycitronellal dimethyl acetal
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 linalyl phenyl acetate
 methyl citronellate
2-methyl octanal
 methyl phenyl acetate
4-methyl-4-phenyl pentanone
 musk acetate
 neryl acetate
 neryl isovalerate
 nonanal diethyl acetal
 nonanol
3-nonanon-1-yl acetate
 octyl isovalerate
 octyl phenyl acetate
 phenethyl acetate
 phenethyl anthranilate
 phenethyl hexanoate
1-phenethyl mercaptan
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde
 phenyl acetaldehyde digeranyl acetal
 phenyl acetic acid
3-phenyl propyl formate
isopropyl phenyl acetate
 rhodinol
 rhodinyl phenyl acetate
 rose absolute
 rose carboxylate
 rose oil turkey
laevo-rose oxide
 strawberry glycidate 1
 strawberry glycidate 2
 styralyl propionate
 tetrahydrolinalool
(E)-2-undecen-1-ol
10-undecen-1-ol
2-undecen-1-ol
 waxy acetate
 waxy aldehyde

(odor and/or flavor) used in :
 apple
 apple blossom
 apple crabapple
 apricot
 bergamot
 blackberry
 cardamom
 cherry
 chervil
 fixer
 fruit
 gardenia
 geranium
 ginger
 grape
 herbal
 hops houblon
 lavender
 leaf
 lemon
 lilac lilas syringa
 lily
 lime
 malt
 oriental
 peach
 pear
 pineapple
 plum
 plum greengage plum
 plum mirabelle plum
 rose
 spice
 tomato
 tropical

natural occurrence in :
cardamon
chervil
data pagegeranium leaf oil india @ 0.09%
data pagegeranium oil rwanda @ 1.03%
data pagegeranium petiole oil india @ 0.06%
data pagegeranium rose-scented oil (pelargonium spp.) cuba @ 0.30%
hop oil
data pagelemon oil california @ 0.01%
data pagelemon verbena oil morocco @ 0.3%
data pagelemon verbena oil turkey @ 0.21%
data pagementha longifolia (l.) huds. oil jordan @ 0.10%
data pagemikan peel oil @ trace%
orange peel bitter
data pagewormwood oil america @ 2.08%



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