styralyl propionate
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IUPAC name :1-phenylethyl propanoate
InChI :InChI=1/C11H14O2/c1-3-11(12)13-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKey :WCIQNYOXLZQQMU-UHFFFAOYAV
SMILES :CCC(=O)OC(C)C1=CC=CC=C1
cas number :120-45-6
(EINECS) number :204-397-3
beilstein number :1948418
fema number :2689
coe number :425
jecfa number :802
fl. number :09.144
molar refractivity :51.47 ± 0.3 cm3
parachor :426.6 ± 4.0 cm3
index of refraction :1.496 ± 0.02
surface tension :34.5 ± 3.0 dyne/cm
density :1.012 ± 0.06 g/cm3
polarizability :20.40 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 178.2276600 (IUPAC)
formula :C11 H14 O2
NMR Predictor :Predict
 
 
IUPAC name :[(1R)-1-phenylethyl] propanoate
InChI :InChI=1/C11H14O2/c1-3-11(12)13-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m1/s1
InChIKey :WCIQNYOXLZQQMU-SECBINFHBS
SMILES :CCC(=O)O[C@H](C)C1=CC=CC=C1
cas number :120-45-6  (R)
molar refractivity :51.47 ± 0.3 cm3
parachor :426.6 ± 4.0 cm3
index of refraction :1.496 ± 0.02
surface tension :34.5 ± 3.0 dyne/cm
density :1.012 ± 0.06 g/cm3
polarizability :20.40 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 178.2276600 (IUPAC)
formula :C11 H14 O2
NMR Predictor :Predict
 
 
IUPAC name :[(1S)-1-phenylethyl] propanoate
InChI :InChI=1/C11H14O2/c1-3-11(12)13-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1
InChIKey :WCIQNYOXLZQQMU-VIFPVBQEBP
SMILES :CCC(=O)O[C@@H](C)C1=CC=CC=C1
cas number :120-45-6  (S)
molar refractivity :51.47 ± 0.3 cm3
parachor :426.6 ± 4.0 cm3
index of refraction :1.496 ± 0.02
surface tension :34.5 ± 3.0 dyne/cm
density :1.012 ± 0.06 g/cm3
polarizability :20.40 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 178.2276600 (IUPAC)
formula :C11 H14 O2
NMR Predictor :Predict
 
 
export tariff code :2915.50.3000
fda reg :172.515
Suppliers :
Bedoukian Research :STYRALLYL PROPIONATE
Berje :alpha-methyl benzyl propionate
IFF :Styralyl Propionate
≥98%
Odor:  Floral, Green, Fruity
Fresh, sweet, floral, rose note with green, rhubarb, fruity aspects.
Penta :alpha-methyl benzyl propionate
SAFC Global® :a-Methylbenzyl propionate
>98%
Odor:  gardenia; musty; earthy; green
Ungerer :Styralyl Propionate
Vigon :Styrallyl Propionate
Odor:  FRUITY-FLORAL, SWEET AND GREEN
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		fresh sweet floral rose gardenia green weedy
Luebke, William tgsc, (1987)
odor sample from :Harrmann & Reimer Corporation
odor description:
Sweet, fruity diffusive, with green, tropical and citrus nuances
Mosciano, Gerard P&F 16, No. 1, 31, (1991)
taste description:
at 10.00 ppm.  		Citrus and green, with fruity tropical nuances
Mosciano, Gerard P&F 16, No. 1, 31, (1991)
substantivity :6 hour(s) at 100.00 %
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.00200 to 1.01000 @ 25.00 °C.
pounds per gallon - calc. : 8.338 to 8.404
specific gravity :1.00301 to 1.01100 @ 20.00 °C.
pounds per gallon - calc. : 8.356 to 8.422
refractive index :1.48800 to 1.49200 @ 20.00 °C.
boiling point : 91.00 to 92.00 °C. @ 5.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 202.00  °F.  TCC  ( 94.44 °C. )
logP (o/w) : 2.99
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 : 10 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Gavage-Rat   [sex: M,F]  5.20  ml/kg
(Levenstein, 1973e)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 613, 1976.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.97 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :27.00 (μg/capita/day)
 
recommendation for styralyl propionate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for styralyl propionate 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 :1
 
 
 
 
1-phenylethyl propanoate
(EINECS) number :204-397-3
RTECS :DP0620000 for cas# 120-45-6
chemidplus :000120456
EPA Substance Registry Services :120-45-6
dtp/nci :406571
 
[(1R)-1-phenylethyl] propanoate
 
[(1S)-1-phenylethyl] propanoate
references :
 
1-phenylethyl propanoate
fl. number :09.144
jecfa number :802
NIST Chemistry WebBook :8240580
pubchem :151582
 
[(1R)-1-phenylethyl] propanoate
pubchem :43559587
 
[(1S)-1-phenylethyl] propanoate
pubchem :43559586
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 :
alpha-methyl benzene methanol propanoate
alpha-methyl benzyl alcohol propionate
alpha-methyl benzyl propanoate
alpha-methyl benzyl propionate
 methyl phenyl carbinyl propionate
1-phenyl ethyl propionate
 phenyl methyl carbinyl propionate
1-phenyl-1-ethyl propionate
1-phenylethyl propanoate
 propionic acid alpha-methyl benzyl ester
 styrallyl propionate
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
 rhodinyl propionate
 sorbyl propionate
 sulfuryl propionate
 terpinyl propionate
 tetrahydrofurfuryl propionate
 tricyclodecenyl propionate
soluble in :
 alcohol
insoluble in :
 water
stability :
 acid cleaner
 alcoholic lotion
 deo stick
 detergent perborate
 fabric softener
 hard surface cleaner
 non-discoloring in most media
 shampoo
 soap
potential blenders :    note
 allyl octanoateFL/FR
isoamyl undecylenateFL/FR
para-anisyl alcoholFL/FR
 benzyl alcoholFL/FR
 benzyl hexanoateFL/FR
alpha-benzylidene methionalFL
 butyl benzyl etherFL/FR
 cassie absoluteFL/FR
 cassie concreteFR
 citronellalFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
(E)-alpha-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
gamma-damasconeFR
isodecanalFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 dihydrocarvyl acetateFL/FR
 dimethyl benzyl carbinolFL/FR
 ethyl formateFL/FR
(E)-ethyl geranateFL/FR
(E)-ethyl tiglateFL/FR
 farnesyl acetateFL/FR
 floral pyranFR
 frangipani absolute pinkFR
 gardenia absoluteFR
 gardenia acetalFR
 gardenia decaloneFR
 gardenia oxideFR
 gardenia pentyl acetateFR
 geranium absoluteFL/FR
 geranyl acetateFL/FR
 geranyl formateFL/FR
(E)-geranyl linaloolFL/FR
 globulol 
 green dioxolaneFR
 green methanoindeneFR
 hawthorn ethanolFR
2-heptyl tetrahydrofuranFR
 herbal ketoneFR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
para-jasmoneFR
 leafy oximeFR
 leather cyclohexanolFR
 mango thiolFL/FR
 methyl 10-undecenalFL/FR
2-methyl octanalFL/FR
4-methyl-4-phenyl pentanoneFR
5-methyl-5-hexen-2-oneFL/FR
 muguet carbinolFL/FR
 musk acetateFR
 narcissus acetateFL/FR
 neryl acetateFL/FR
 neryl isovalerateFL/FR
 nonanal diethyl acetalFL/FR
 nonanolFL/FR
2-nonanoneFL/FR
 nonyl acetateFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl butyl etherFR
 phenethyl formateFL/FR
 phenethyl isopropyl etherFR
 phenethyl oxyacetaldehydeFR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenethyl tiglateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde digeranyl acetalFR
 phenyl acetic acidFL/FR
 phenyl glycol diacetateFR
 phenyl propyl phenyl acetateFL/FR
 propyl hexanoateFL/FR
 rose acetateFR
 rose butanoateFL/FR
(Z)-rose oxideFL/FR
laevo-rose oxideFL/FR
 rose pyranFR
 spruce needle absoluteFL/FR
 strawberry glycidate 2FL/FR
 styralyl acetateFL/FR
 styralyl alcoholFL/FR
 styralyl formateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
3,5,5-trimethyl hexanolFL/FR
 tropical oxathianeFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
potential uses :
 apple green apple
 citrus
 gardenia
 grapefruit
 green
 guava
 herbal
 jasmin
 melon watermelon muskmelon cantaloupe
 passion fruit
 plum
 rose
 tomato
natural occurrence in :    note
 beer  
 mint  
 passion fruit S

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