geranyl butyrate
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IUPAC name :[(2E)-3,7-dimethylocta-2,6-dienyl] butanoate
InChI :InChI=1/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
InChIKey :ZSBOMYJPSRFZAL-JLHYYAGUBZ
SMILES :CCCC(=O)OC\C=C(/C)\CCC=C(C)C
cas number :106-29-6
(EINECS) number :203-381-3
fema number :2512
coe number :274
jecfa number :66
fl. number :09.048
molar refractivity :68.48 ± 0.3 cm3
parachor :580.6 ± 4.0 cm3
index of refraction :1.460 ± 0.02
surface tension :29.1 ± 3.0 dyne/cm
density :0.897 ± 0.06 g/cm3
polarizability :27.14 ± 0.5 10-24cm3
XlogP : 4.10
molecular weight : 224.3391600 (IUPAC)
formula :C14 H24 O2
pherobase :view
NMR Predictor :Predict
 
 
export tariff code :2915.60.0000
fda reg :172.515
Suppliers :
Advanced Biotech :geranyl butyrate
92% min. natural
Berje :Geranyl Butyrate
Cargill - Alfrebro :GERANYL BUTYRATE (EU NAT)
natural, Kosher
Citrus and Allied Essences :Geranyl Butyrate Extra
FCC
Citrus and Allied Essences :Geranyl Butyrate
85
Elan :geranyl butyrate
FCC, Kosher
Fleurchem :geranyl butyrate
natural
Frutarom :GERANYL BUTYRATE
≥98.00% (sum of isomers), NI, Kosher
Odor:  Floral, Fresh, Fruity, Rose, Sweet
Grau Aromatics :GERANYL-BUTYRATE
FCC, NI, Kosher
Inoue :GERANYL BUTYRATE S
Mane :geranyl butyrate
Moellhausen :geranyl butyrate
95% min. nature identical kosher
Odor:  fruity-floral, rose- and apple-like
Flavor:  fruity, rosy, apple-like
Penta :geranyl butyrate
Penta :geranyl butyrate
natural
Robertet :Geranyl butyrate
naturel
Sigma-Aldrich-SAFC :Geranyl butyrate
FCC, Kosher
Odor:  apple; rose; sweet
Sigma-Aldrich-SAFC :Geranyl butyrate
natural
Odor:  apple; rose; sweet
Vigon :Geranyl Butyrate
98%
Vigon :Geranyl Butyrate
85%
Vigon :Geranyl Butyrate
60%
organoleptics :
odor type :fruity
odor strength :medium
odor description¹ :
at 100.00 %.  		sweet fruity rose waxy raspberry tropical
odor sample from :CA Aromatics Company Inc.
odor description³ :
at 100.00 %.  		Sweet, fresh fruity, waxy, raspberry, peach, apricot, tropical notes with a green nuance
taste description³ :
at 5.00 ppm.  		Sweet, fruity, green, slightly floral, with a lingering tropical fruity after taste
substantivity :88  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.88900 to 0.90400 @ 25.00 °C.
pounds per gallon - calc. : 7.397 to 7.522
specific gravity :0.89100 to 0.89900 @ 20.00 °C.
pounds per gallon - calc. : 7.423 to 7.489
refractive index :1.45500 to 1.46200 @ 20.00 °C.
boiling point : 151.00 to 153.00 °C. @ 18.00 mm Hg
boiling point : 242.00 to 243.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.00200 mm/Hg @ 20.00 °C.
vapor density :7.7 ( Air = 1 )
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 5.17
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) :
  Gavage-Rat   [sex: M/F]  10660.00  mg/kg
(Jenner et al., 1964)

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

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :52.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :25.00 (μg/capita/day)
Structure Class :I
 
recommendation for geranyl butyrate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for geranyl butyrate flavor usage levels up to :
  10.0000 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] butanoate
(EINECS) number :203-381-3
RTECS :ES9990000 for cas# 106-29-6
chemidplus :000106296
EPA Substance Registry Services :106-29-6
dtp/nci :70177
references :
 
[(2E)-3,7-dimethylocta-2,6-dienyl] butanoate
fl. number :09.048
jecfa number :66
NIST Chemistry WebBook :302891022
pubchem :150890
Flavornet :106-29-6
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1993)¹
reference : Mosciano, Gerard P&F 26, No. 1, 52, (2001)³
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 butanoic acid (2E)-3,7-dimethyl-2,6-octadienyl ester
(E)-butanoic acid 3,7-dimethyl-2,6-octadienyl ester
(E)-butyric acid 3,7-dimethyl-2,6-octadienyl ester
 butyric acid geranyl ester
 dimethyl-2,6-octadien-1-yl butanoate
(E)-3,7-dimethyl-2,6-octadien-1-yl butanoate
trans-3,7-dimethyl-2,6-octadien-1-yl butanoate
(E)-3,7-dimethyl-2,6-octadienyl butanoate
(E)-3,7-dimethyl-2,6-octadienyl butyrate
[(2E)-3,7-dimethylocta-2,6-dienyl] butanoate
 geraniol butyrate
 geranyl butanoate
(E)-geranyl butyrate
 geranyl N-butyrate
(E)-neryl butyrate
soluble in :
 alcohol
 fixed oils
 paraffin oil
 water, slightly
insoluble in :
 water
 glycerin
 propylene glycol
potential blenders :
 allyl 2-ethyl butyrateFL
 allyl cyclohexyl valerateFL
 allyl heptanoateFL/FR
 allyl isononylateFR
 allyl propionateFL/FR
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
isoamyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 apricot isobutyrateFR
 benzyl heptanoateFL/FR
 benzyl isobutyrateFL/FR
 benzyl isovalerateFL/FR
 benzyl octanoateFL/FR
 benzyl propionateFL/FR
 bois de rose oilFL/FR
 buchu mercaptanFL/FR
2-butanolFL
 butyl angelateFL/FR
 butyl decylenateFL/FR
 butyl heptanoateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
 cassis buteneoneFL/FR
 cassis pentanoneFL/FR
laevo-citronellyl acetateFL/FR
 coranolFR
 cubeb oilFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl cinnamateFL/FR
 cyclohexyl isovalerateFL/FR
beta-damascenoneFL/FR
alpha-damasconeFL/FR
delta-damasconeFL/FR
gamma-damasconeFL/FR
delta-decalactoneFL/FR
 decen-1-yl cyclopentanoneFL/FR
3-decen-2-oneFL/FR
delta-decenolactoneFL/FR
 decyl butyrateFL/FR
 diethyl 1-malateFL/FR
 dihydrolinaloolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
3,6-dimethyl-3-octanolFL/FR
epsilon-dodecalactoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 ethyl decanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl linaloolFL/FR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFL/FR
 ethyl linalyl etherFL/FR
 ethyl nonanoateFL/FR
 ethyl ortho-anisateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl valerateFL/FR
 fruity butanateFR
 fruity cyclopentanoneFR
 fruity ketalFL/FR
 geraniolFL/FR
(E)-geranyl acetoneFL/FR
 geranyl hexanoateFL/FR
 geranyl isovalerateFL/FR
 geranyl methyl ethyl acetateFL/FR
 geranyl methyl tiglateFL/FR
 geranyl propionateFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
 heptanal dimethyl acetalFL/FR
 heptyl 2-methyl butyrateFL
2-heptyl cyclopentanoneFR
3-hexanoneFL/FR
(Z)-3-hexen-1-al diethyl acetalFL/FR
(E)-2-hexen-1-al dimethyl acetalFL
(Z)-3-hexen-1-al dimethyl acetalFL
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
 ho leaf oilFL/FR
 ho wood oilFL/FR
 hyacinth etherFR
 jasmin absoluteFL/FR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 linalyl formateFL/FR
 maltyl isobutyrateFL/FR
 marine formateFR
 methyl 2-(methyl thio) butyrateFL
 methyl 2,4-decadienoateFL/FR
 methyl butyrateFL
 methyl citronellateFL
 methyl isovalerateFL
 methyl thiomethyl butyrateFL
 methyl valerateFL
(E)-2-nonen-1-yl acetateFL/FR
 nonyl isovalerateFL/FR
 octyl formateFL/FR
 octyl phenyl acetateFL/FR
 passiflora acetateFL/FR
 peach cyclopentanoneFR
 peach pivalateFR
(E)-2-penten-1-alFL
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl valerateFL/FR
 propyl butyrateFL/FR
 propyl heptanoateFL/FR
 propyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 prune glycidateFR
 raspberry ketone methyl etherFL/FR
 rhodinyl butyrateFL/FR
 santalyl butyrateFR
 tetrahydrolinaloolFL/FR
delta-undecalactoneFL/FR
gamma-undecalactoneFL/FR
isovaleraldehydeFL
 viridiflorolFL/FR
potential uses :
 amber
 apple blossom
 apple crabapple
 apple red apple
 apricot
 blueberry
 cassie acacia farnesiana
 celery
 cherry
 chypre
 citrus
 geranium
 herbal
 honeysuckle chevrefeuille
 lavender
 mango
 mimosa wattle
 papaya
 passion fruit
 peach
 pear
 peony
 pineapple
 plum
 raspberry
 rose
natural occurrence in :
 celery leaf S
 celery stalk S
data pagegeranium oil africa @ 1.65% S
data pagegeranium oil bourbon @ 1.04% S
data pagegeranium oil china @ 1.32% S
data pagegeranium oil egypt @ 1.09% S
data pagegeranium oil moroccan @ 2.44% S
data pagegeranium oil rwanda @ 0.64% S
data pagegeranium petiole oil india @ 0.08% S
data pagegeranium rose-scented oil (pelargonium spp.) cuba @ 0.10% S
data pagegeranium stem oil india @ 0.07% S
 grapefruit S
data pagegrapefruit oil c.p. russia @ 0.01% S
data pagegrapefruit oil c.p. russia @ 0.01% S
data pagegrapefruit oil c.p. russia @ 0.02% S
data pagegrapefruit oil c.p. russia @ 0.02% S
 lavender  
 lemon peel oil S
 orange  
data pagepalmarosa oil @ 0.10% S
 passion fruit purple  
data pagepepper tree berry oil @ 0.34% S
 tomato  



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