neryl propionate
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IUPAC name :[(2Z)-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-XFXZXTDPBO
SMILES :CCC(=O)OC\C=C(\C)/CCC=C(C)C
cas number :105-91-9
(EINECS) number :203-345-7
fema number :2777
coe number :509
jecfa number :63
fl. number :09.169
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 :
Bedoukian Research :NERYL PROPIONATE
≥97.0%, Kosher
Odor:  fruity, jammy
For citrus and floral fragrances.
Flavor:  green fruity
Used mostly in berry flavors for jamminess
Cargill :NERYL PROPIONATE
natural, Kosher
Odor:  Sweet, Fruity, Berry
Fleurchem :neryl propionate
natural
Grau Aromatics :NERYL-PROPIONATE
NI, Kosher
Inoue :NERYL PROPIONATE
Penta :neryl propionate
Penta :neryl propionate
natural
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		fruity floral green jammy berry
natural odor description:
at 100.00 %.  		fruity geranium green neroli grape berry jam waxy
Luebke, William tgsc, (2009)
natural odor sample from :Cargill, Inc.
odor description:
Fruity, floral, sweet, green, tutti-frutti, with a powdery nuance
Mosciano, Gerard P&F 18, No. 2, 38, (1993)
taste description:
at 15.00 ppm.  		Green, fruity, floral, waxy, seedy and berry
Mosciano, Gerard P&F 18, No. 2, 38, (1993)
substantivity :10 hour(s) at 100.00 %
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.90300 to 0.91100 @ 25.00 °C.
pounds per gallon - calc. : 7.514 to 7.580
refractive index :1.45000 to 1.47000 @ 20.00 °C.
boiling point : 233.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.01280 mm/Hg @ 25.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 4.64
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Human experience : 6 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
(Moreno, 1975f)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 629, 1976.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :3.70 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :1.10 (μg/capita/day)
Structure Class :I
 
recommendation for neryl propionate fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for neryl propionate flavor usage levels up to :
  25.0000 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
 
 
 
 
[(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate
(EINECS) number :203-345-7
chemidplus :000105919
EPA Substance Registry Services :105-91-9
references :
 
[(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate
fl. number :09.169
jecfa number :63
NIST Chemistry WebBook :1117483116
pubchem :150874
Cosmetics :
Cosmetic uses : perfuming agents
other :
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 :
(Z)-3,7-dimethyl-2,6-octadien-1-yl propanoate
cis-3,7-dimethyl-2,6-octadien-1-yl propanoate
(Z)-3,7-dimethyl-2,6-octadien-1-yl propionate
cis-3,7-dimethyl-2,6-octadien-1-yl propionate
[(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate
(Z)-geranyl propionate
 neryl propanoate
(Z)-neryl propionate
cis-neryl propionate
 propionic acid 3,7-dimethyl-2,6-octadien-1-yl ester
 propionic acid neryl 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
 linalyl propionate
 maltyl propionate
 menthyl propionate
laevo-menthyl propionate
2-methyl butyl propionate
 methyl propionate
 nerolidyl 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
 dipropylene glycol
 water, very slightly
insoluble in :
 water
potential blenders :    note
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde dihexyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
 acetoin butyrateFL
 acetyl butyrylFL/FR
 acetyl methyl anthranilateFL/FR
 allyl 2-furoateFL
 allyl amyl glycolateFR
 allyl benzoateFR
 allyl butyrateFL/FR
 allyl tiglateFL
 ambrette seed absoluteFL/FR
delta6-isoambrettolideFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 amyl benzoateFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehyde diethyl acetalFR
isoamyl formateFL/FR
 amyl hexanoateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
para-anisyl propanalFR
 anisyl propanal / methyl anthranilate schiff's baseFR
 artemisyl ketoneFL/FR
 benzyl butyrateFL/FR
 benzyl methyl etherFL/FR
 benzyl propionateFL/FR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
 bisaboleneFL/FR
 blackberry thiophenoneFL/FR
 bornyl valerateFL/FR
 boronia absoluteFL/FR
 buchu mercaptanFL/FR
 butyl 2-methyl butyrateFL/FR
 butyl anthranilateFL/FR
isobutyl anthranilateFL/FR
isobutyl benzyl carbinolFL/FR
isobutyl butyrateFL/FR
alpha-butyl cinnamaldehydeFL/FR
 butyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl isovalerateFL/FR
isobutyl propionateFL/FR
 butyl valerateFL/FR
isobutyl-3-(methyl thio) butyrateFL/FR
 campholene acetateFL/FR
alpha-campholenic alcoholFL/FR
 cherry pentenoateFL/FR
 chrysanthemum oxideFL/FR
 cinnamyl formateFL/FR
 citral dimethyl acetalFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 clary sage absoluteFL/FR
 cognac heptanoneFL/FR
 conifer acetateFL/FR
ortho-cresyl isobutyrateFL/FR
 cumin carbinolFR
 cuminyl acetaldehydeFL/FR
beta-cyclocitralFL/FR
 cyclohexyl ethyl acetateFL/FR
 cyclohexyl formateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
beta-damascenoneFL/FR
alpha-damasconeFL/FR
gamma-damasconeFR
 davana oilFL/FR
alpha-decalactoneFR
 decanal propylene glycol acetalFL/FR
3-decanoneFL/FR
(E)-4-decen-1-alFL/FR
2-decen-1-alFL/FR
3-decen-2-oneFL/FR
9-decenoic acidFL/FR
 diethyl malonateFL/FR
 dihydro-alpha-iononeFL/FR
isodihydrolavandulalFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
(E,E)-2,4-dodecadien-1-olFR
 earthy acetalFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl (E)-4-decenoateFL/FR
 ethyl 2-benzyl butyrateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 2-methyl-2-pentenoateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3-oxohexanoateFL
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
2-ethyl butyric acidFL/FR
 ethyl cinnamateFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
 ethyl maltolFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl octine carbonateFL
 ethyl ortho-anisateFL/FR
 ethyl salicylateFL/FR
 ethyl valerateFL/FR
2-ethyl-4-butanolFL/FR
 farnesyl acetateFL/FR
 filbert hexenoneFL/FR
 fir balsam absoluteFR
 fir carboxylateFR
 floral butanalFR
 fruity ketalFL/FR
 furfuryl isovalerateFL
 furfuryl propionateFL
(E)-furfurylidene phenyl acetaldehydeFL
 gardenia absoluteFR
 geranium oilFL/FR
 geranyl acetoneFL/FR
 geranyl butyrateFL/FR
 geranyl isobutyrateFL/FR
 geranyl isovalerateFL/FR
 grapefruit pentanolFR
 green dioxolaneFR
 heliotropyl acetateFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl isobutyrateFL/FR
(E,E)-2,4-heptadien-1-olFL
 heptanal cyclic ethylene acetalFR
2-heptanolFL/FR
 heptyl isobutyrateFL/FR
 herbal undecanoneFR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-alFL
(E)-2-hexen-1-al diethyl acetalFL
2-hexen-1-al diethyl acetalFL
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-2-hexen-1-yl acetateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
2-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
1-hexen-3-yl acetate 
 hexyl (E)-2-hexenoateFL
 hexyl 2-butenoateFL/FR
 hexyl acetateFL/FR
 hexyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 hexyl pivalateFR
 hexyl propionateFL/FR
 hyacinth absoluteFL/FR
 hyacinth etherFR
 hydroxycitronellal diethyl acetalFL/FR
beta-iononeFL/FR
beta-ionone epoxideFL/FR
beta-ionyl acetateFL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
 jasmin absoluteFL/FR
 jasmin absolute chassisFL/FR
 jasmin absolute concrete italyFL/FR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 juniper berry oleoresinFL/FR
 leather propionateFR
 lily propanolFR
 linalyl hexanoateFL/FR
 maltolFL/FR
 maltyl isobutyrateFL/FR
 maltyl propionateFL/FR
 mango thiolFL/FR
 marine hexaneFR
 melon valerateFL/FR
dextro,laevo-menthyl acetateFL/FR
 methyl (E)-2-hexenoateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl (E)-cinnamateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl 2-undecynoateFL
 methyl 4-pentenoateFL
 methyl beta-ionolFR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl cinnamateFL/FR
 methyl cyclocitroneFR
 methyl furfuryl disulfideFL
(E)-methyl geranateFL/FR
 methyl heptanoateFL/FR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
 methyl propionateFL/FR
 methyl R-3-acetoxyhexanoate 
2-methyl valeraldehydeFL
 methyl valerateFL/FR
3-methyl valeric acidFL
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
2-methyl-2-pentenoic acidFL/FR
3-methyl-3-pentanolFL
2-methyl-3-pentenoic acidFL/FR
4-methyl-4-phenyl pentanoneFR
 mimosa absoluteFL/FR
 muguet undecadienalFR
 myrtenalFL/FR
 neroli oilFL/FR
 nerolidolFL/FR
 nerolidyl isobutyrateFR
 nerolin fragarolFL/FR
 neryl isobutyrateFL/FR
(E)-5-nonen-2-oneFL
3-nonen-2-oneFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
(E,E)-3,5-octadien-2-oneFL
 octanal dimethyl acetalFL/FR
(E)-2-octen-1-yl butyrateFL/FR
 octen-1-yl cyclopentanoneFL/FR
3-octen-2-oneFL/FR
(E)-2-octen-4-olFL
2-octen-4-oneFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
 octyl oxyacetaldehydeFR
 octyl propionateFL/FR
 orange leaf absoluteFL/FR
 orris root resinoidFL/FR
 osmanthus absoluteFL/FR
 papaya isobutyrateFL/FR
 peach pivalateFR
(E)-2-penten-1-alFL/FR
2-pentyl furanFL/FR
 phenethyl butyrateFL/FR
2-phenethyl isothiocyanateFL
 phenethyl pivalateFL/FR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
3-phenyl propyl isovalerateFL/FR
 phenyl propyl valerateFL/FR
4-phenyl-2-butyl acetateFL/FR
 pine needle oil dwarfFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
isopropenyl acetateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl acetateFL/FR
 propyl formateFL/FR
 propyl heptanoateFL/FR
isopropyl hexanoateFL/FR
 propyl isobutyrateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 prune glycidateFR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhubarb undecaneFR
 rose butanoateFL/FR
 rose carboxylateFR
 sorbyl isobutyrateFL/FR
 strawberry furanoneFL/FR
 strawberry glycidate 1FL/FR
 strawberry glycidate 2FL/FR
 styralyl butyrateFL/FR
 styralyl formateFL/FR
 sweet pea absoluteFR
 terpinyl isobutyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tetrahydroionyl acetateFR
 thiogeraniolFL/FR
 tiglaldehydeFL/FR
 timber dioxolaneFR
4-(para-tolyl)-2-butanoneFL/FR
 tricyclodecenyl acetateFR
 tricyclodecyl acetateFR
 tropical indeneFR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
 valeraldehydeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
 vanilla carboxylateFL/FR
 violet dienyneFR
 woody acetateFR
potential uses :
 banana
 berry jam
 citrus
 floral
 frangipanni plumeria
 fruit
 honeysuckle chevrefeuille
 jam
 jasmin
 lily
 neroli
 orange blossom fleur d'oranger
 pear
 plum greengage plum
 plum mirabelle plum
 rose tea rose
 tuberose tubereuse
 tutti frutti
 velvety
natural occurrence in :    note
data pagehelichrysum italicum oil america @ 6.53% S
data pagelemon oil california @ 0.007% S
data pagewormwood oil poland @ 0.52% S

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