linalyl propionate
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IUPAC name :3,7-dimethylocta-1,6-dien-3-yl propanoate
InChI :InChI=1/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3
InChIKey :WAQIIHCCEMGYKP-UHFFFAOYAZ
SMILES :CCC(=O)OC(C)(CCC=C(C)C)C=C
cas number :144-39-8
(EINECS) number :205-627-5
fema number :2645
coe number :411
jecfa number :360
fl. number :09.130
molar refractivity :63.64 ± 0.3 cm3
parachor :541.5 ± 4.0 cm3
index of refraction :1.453 ± 0.02
surface tension :28.1 ± 3.0 dyne/cm
density :0.894 ± 0.06 g/cm3
polarizability :25.22 ± 0.5 10-24cm3
XlogP : 3.50
molecular weight : 210.3125800 (IUPAC)
formula :C13 H22 O2
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2915.50.3000
fda reg :172.515
Suppliers :
Apple :Linalyl propionate
Fleurchem :linalyl propionate (ex BDR)
natural
Fleurchem :linalyl propionate
Inoue :LINALYL PROPIONATE
Penta :linalyl propionate
SAFC Global® :Linalyl propionate
≥92%, Kosher, FCC, FG
Odor:  herbaceous; pear; sweet
Vigon :Linalyl Propionate
FCC
Odor:  LAVENDER, CITRUS-BERGAMOT, FRUITY
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		fresh bergamot lily woody rose rum
Luebke, William tgsc, (1996)
odor sample from :Elan Chemical, Inc.
substantivity :12  Hour(s)
properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.89600 to 0.90400 @ 25.00 °C.
pounds per gallon - calc. : 7.456 to 7.522
refractive index :1.45200 to 1.45500 @ 20.00 °C.
boiling point : 115.00 °C. @ 10.00 mm Hg
boiling point : 226.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.02670 mm/Hg @ 20.00 °C.
flash point : 207.00  °F.  TCC  ( 97.22 °C. )
logP (o/w) : 4.37
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 : 8 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
(Moreno, 1973p)

Oral-Mouse   [sex: M]  13874.00  mg/kg
(Hoffman-LaRoche, Inc., 1967b)

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

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :13.00 (μg/capita/day)
 
recommendation for linalyl propionate fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for linalyl propionate flavor usage levels up to :
  15.0000 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
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
3,7-dimethylocta-1,6-dien-3-yl propanoate
(EINECS) number :205-627-5
RTECS :RG5927903 for cas# 144-39-8
chemidplus :000144398
EPA Substance Registry Services :144-39-8
dtp/nci :46139
references :
 
3,7-dimethylocta-1,6-dien-3-yl propanoate
fl. number :09.130
jecfa number :360
NIST Chemistry WebBook :2123001199
pubchem :197338
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(1)-1,5-dimethyl-1-vinyl hex-4-enyl propionate
1,5-dimethyl-1-vinyl hex-4-enyl propionate
3,7-dimethyl-1,6-octadien-3-ol propanoate
3,7-dimethyl-1,6-octadien-3-yl propanoate
3,7-dimethyl-1,6-octadien-3-yl propionate
3,7-dimethylocta-1,6-dien-3-yl propanoate
 linalool propanoate
 linalyl propanoate
 propionic acid linalyl ester
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
 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
 rhodinyl propionate
 sorbyl propionate
 styralyl propionate
 sulfuryl propionate
 terpinyl propionate
 tetrahydrofurfuryl propionate
 tricyclodecenyl propionate
soluble in :
 alcohol
 fixed oils
 water, 17 mg/L @ 20C
insoluble in :
 glycerin
 water
stability :
 detergent
 shampoo
 soap
potential blenders :    note
 allyl hexanoateFL/FR
 allyl isononylateFR
 allyl phenyl acetateFL/FR
 amber dioxepineFR
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
isoamyl pyruvateFL/FR
 balsam ketoneFR
 benzyl anthranilateFL/FR
 benzyl isobutyrateFL/FR
 bergamot acetoacetateFR
 berry pentadienoateFL/FR
isobornyl propionateFL/FR
 butyl angelateFL/FR
isobutyl butyrateFL/FR
alpha-butyl cinnamaldehydeFL/FR
 butyl formateFL/FR
 cassis buteneoneFL/FR
laevo-citronellyl acetateFL/FR
 citronellyl ethoxalateFR
 citronellyl formateFL/FR
 citrus ocimenolFR
para-cresyl phenyl acetateFL/FR
para-cresyl propionaldehydeCS
 cuminyl acetateFL/FR
 cyclamen aldehyde / methyl anthranilate schiff's baseFR
 cyclohexanone diethyl acetalFL/FR
 cyclohexyl ethyl alcoholFL/FR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 decyl propionateFL/FR
isodihydrolavandulalFL/FR
 dihydromyrcenyl acetateFR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 ethyl (E)-crotonateFL/FR
 ethyl 2-methyl-2-pentenoateFR
 ethyl acetateFL/FR
 ethyl cyclopentenoloneFL/FR
 ethyl heptanoateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl linaloolFR
 ethyl nonanoateFL/FR
 ethyl propionateFL/FR
 ethyl pyruvateFL/FR
(E)-ethyl tiglateFL/FR
 farneseneFL/FR
(E,E)-farnesolFL/FR
 freesia acetateFR
 freesia heptanolFL/FR
 fruity carboxylateFR
 gardenia decaloneFR
 geraniolFL/FR
 geranyl acetateFL/FR
 geranyl butyrateFL/FR
 geranyl methyl tiglate 
 geranyl propionateFL/FR
 heptyl acetateFL/FR
 herbal undecanolFR
3-hexanoneFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
1-hexen-3-olFL/FR
1-hexen-3-yl acetate 
 hexyl phenyl acetateFL/FR
 hydroxycitronellalFL/FR
 hydroxycitronellal / methyl anthranilate schiff's baseFR
 hydroxycitronellal diethyl acetalFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
 hydroxycitronellolFL/FR
 lavandin oilFL/FR
 lavandin oil grossoFL/FR
 lavandin water absoluteFL/FR
 lavender absoluteFL/FR
 lavender flower oil lithuaniaFL/FR
 lavender oilFL/FR
 lavender oil bulgariaFL/FR
 lavender oil CO2 extract franceFL/FR
 lavender oil terpenelessFL/FR
 lavender stem oil lithuaniaFR
 leerall / methyl anthranilate schiff's baseFR
 lily pentanalFR
 lily propanolFR
 lilyall / methyl anthranilate schiff's baseFR
 linalyl acetateFL/FR
dextro-linalyl acetateFL/FR
laevo-linalyl acetateFL/FR
 linalyl benzoateFL/FR
 linalyl butyrateFL/FR
 linalyl cinnamateFL/FR
 linalyl formateFL/FR
 linalyl isobutyrateFL/FR
 linalyl isovalerateFL/FR
 linalyl valerateFL/FR
 magnolia decadienalFR
 methoxycitronellalFR
 methyl hexyl etherFL/FR
2-methyl octanalFL/FR
 methyl propionateFL/FR
 methyl tiglateFL
alpha-methylene citronellalFR
 muguet carbaldehydeFR
 muguet carbinolFL/FR
 muguet nitrileFR
 muguet octadienolFR
 muguet propanolFR
 muguet shiseolFL/FR
 myrcenolFL/FR
 myrcenyl acetateFL/FR
 nerolidyl isobutyrateFR
 neryl isovalerateFL/FR
 nonanalFL/FR
 nonisyl propionateFR
 nopyl acetateFR
 ocimen-1-yl acetateFR
 ocimene oxiraneFR
3-octanoneFL/FR
3-octen-1-yl acetateFL/FR
3-octyl acetateFL/FR
 octyl formateFL/FR
 ozone propanalFR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl valerateFL/FR
 phenoxyethyl propionateFL/FR
2-phenyl propyl butyrateFL/FR
 prenolFL/FR
 prenyl formateFL/FR
 propyl formateFL/FR
 pyruvaldehydeFL
 rhodinyl butyrateFL/FR
 santalyl butyrateFL/FR
 terpineol acetateFR
alpha-terpinyl acetateFL/FR
alpha-terpinyl anthranilateFL/FR
 terpinyl formateFL/FR
 terpinyl isobutyrateFL/FR
alpha-terpinyl methyl etherFL/FR
 tetrahydrofurfuryl acetateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydrolinalyl acetateFR
 tetrahydromyrcenolFR
 tetrahydromyrcenyl acetateFR
 ylang ylang oilFL/FR
potential uses :
 apricot
 banana
 bergamot
 chypre
 civet
 clary sage
 cranberry
 currant black currant
 elder blossom
 fern fougere
 freesia
 gooseberry
 hops houblon
 jasmin
 lavender
 lilac lilas syringa
 lily
 mimosa wattle
 muguet lily of the valley
 opoponax
 origan
 pear
 pineapple
 rose
 sage
 violet
 ylang ylang cananga
natural occurrence in :    note
data pagebergamot oil @ 0.013-0.066% S
data pagefeatherfew leaf oil @ trace% S
 hop oil S
 lavender  
data pagelavender oil france @ 0.12% S
 sage  

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