styralyl formate
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IUPAC name :1-phenylethyl formate
InChI :InChI=1/C9H10O2/c1-8(11-7-10)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey :RUDZCBJWUDOPTP-UHFFFAOYAW
SMILES :CC(C1=CC=CC=C1)OC=O
cas number :7775-38-4
(EINECS) number :231-893-7
fema number :2688
coe number :574
jecfa number :800
fl. number :09.179
molar refractivity :42.36 ± 0.3 cm3
parachor :350.8 ± 4.0 cm3
index of refraction :1.503 ± 0.02
surface tension :36.0 ± 3.0 dyne/cm
density :1.048 ± 0.06 g/cm3
polarizability :16.79 ± 0.5 10-24cm3
XlogP : 2.20
molecular weight : 150.1745000 (IUPAC)
formula :C9 H10 O2
NMR Predictor :Predict
 
 
export tariff code :2915.13.0000
fda reg :172.515
Suppliers :
Inoue :STYRALYL FORMATE
Penta :alpha-methyl benzyl formate
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		green floral woody mimosa gardenia
properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.04200 to 1.05000 @ 25.00 °C.
pounds per gallon - calc. : 8.670 to 8.737
refractive index :1.50200 to 1.50800 @ 20.00 °C.
boiling point : 198.00 °C. @ 760.00 mm Hg
acid value : 3.00  max.  KOH/g
flash point : 200.00  °F.  TCC  ( 93.33 °C. )
logP (o/w) : 1.89
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.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.037 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.40 (μg/capita/day)
 
recommendation for styralyl formate fragrance usage levels up to :
  6.0000 % in the fragrance concentrate.
recommendation for styralyl formate flavor usage levels up to :
  20.0000 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 formate
(EINECS) number :231-893-7
chemidplus :007775384
EPA Substance Registry Services :7775-38-4
dtp/nci :404480
references :
 
1-phenylethyl formate
fl. number :09.179
jecfa number :800
pubchem :474672
other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
alpha-methyl benzene methanol formate
alpha-methyl benzyl alcohol formate
alpha-methyl benzyl formate
alpha-methyl benzyl methanoate
 methyl phenyl carbinyl formate
alpha-phenethyl formate
1-phenyl ethyl formate
alpha-phenyl ethyl formate
1-phenyl-1-ethyl formate
1-phenyl-1-ethyl methanoate
1-phenylethyl formate
Similar Products:    note
 allyl formate
 amyl formate
isoamyl formate
para-anisyl formate
 benzyl formate
 bornyl formate
isobornyl formate
 butyl formate
isobutyl formate
sec-butyl formate
 carvyl formate
 cedryl formate
 cinnamyl formate
 citronellyl formate
para-cresyl formate
 cyclododecyl formate
 cyclohexyl formate
2-decalinyl formate
 decyl formate
 dimethyl benzyl carbinyl formate
 ethyl formate
 eugenyl formate
isoeugenyl formate
 furfuryl formate
S-furfuryl thioformate
 geranyl formate
 heptyl formate
(E)-2-hexen-1-yl formate
(E)-3-hexen-1-yl formate
3-hexen-1-yl formate
(Z)-3-hexen-1-yl formate
 hexyl formate
 linalyl formate
 menthadienyl formate
 menthyl formate
laevo-menthyl formate
2-methyl butyl formate
 methyl formate
 myrtenyl formate
 neryl formate
 nonisyl formate
 nonyl formate
 nopyl formate
 octyl formate
3-octyl formate
 phenethyl formate
2-phenoxyethyl formate
3-phenyl propyl formate
 prenyl formate
 propyl formate
isopropyl formate
isopulegyl formate
 rhodinyl formate
 sulfuryl formate
 terpinyl formate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetophenoneFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 amyl benzoateFL/FR
(E)-anetholFL/FR
 angel essence 
para-anisaldehydeFL/FR
para-anisaldehyde / methyl anthranilate schiff's baseFR
 anisyl propanal / methyl anthranilate schiff's baseFR
 apple ketalFL/FR
 benzyl hexanoateFL/FR
 benzyl methyl etherFL/FR
 bergamot oil bergaptene freeFL/FR
 bergoxaneFR
 bicyclogermacrene 
 birch bud oilFL/FR
 bornyl salicylateFR
isobutyl benzyl carbinolFL/FR
alpha-butyl cinnamaldehydeFL/FR
4-tert-butyl cyclohexane carboxaldehydeFR
isobutyl furyl propionateFL/FR
beta-cadinene 
alpha-campholenic aldehydeFL/FR
 chrysanthemum oxideFL/FR
 cinnamyl formateFL/FR
 citral dimethyl acetalFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 clary sage absoluteFL/FR
para-cresolFL/FR
 cumin carbinolFR
 cuminyl acetaldehydeFL/FR
isocyclogeraniolFR
 decanal propylene glycol acetalFL/FR
3-decanoneFL/FR
(E)-4-decen-1-alFL/FR
2-decen-1-alFL/FR
 dihydro-beta-ionolFL/FR
isodihydrolavandulalFL/FR
3',4'-dimethoxyacetophenoneFL/FR
2',4'-dimethyl acetophenoneFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
 earthy acetalFL/FR
 elemi oilFL/FR
alpha-elemolFL/FR
 ethyl 2-benzyl butyrateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl octine carbonateFL
beta-eudesmol 
isoeugenyl formateFL/FR
 farnesyl acetateFL/FR
 fir balsam absoluteFR
 floral butanalFR
 frangipani absolute pinkFR
 freesia heptanolFL/FR
 fresh nitrileFR
 galbanum oilFL/FR
 galbanum oleoresinFL
 galbanum resinoidFR
 gardenia absoluteFR
 gardenia acetalFR
 gardenia decaloneFR
 gardenia oxideFR
 gardenia pentyl acetateFR
 geranium oilFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 grapefruit pentanolFR
 green acetateFR
 green dioxolaneFR
 green methanoindeneFR
 heptanolFL/FR
(E)-2-hexen-1-yl salicylateFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho wood oilFR
 hyacinth absoluteFL/FR
4'-hydroxyacetophenoneFL
 hydroxycitronellal diethyl acetalFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 immortelle flower oilFR
(E)-beta-iononeFL/FR
alpha-iononeFL/FR
beta-iononeFL/FR
alpha-ironeFL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
 jasmin cyclopentanolFR
para-jasmoneFR
 jonquil absoluteFR
 karo karounde absoluteFR
 linaloe wood oil mexicoFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
(Z)-linalool oxide (furanoid)FL/FR
 marine hexaneFR
 methyl 2-undecynoateFL
 methyl acetophenoneFL/FR
 methyl beta-iononeFL/FR
 methyl cyclocitroneFR
para-methyl hydratropaldehydeFL/FR
(E)-beta-methyl iononeFL/FR
iso-alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
 methyl ionone gamma supremeFL/FR
 methyl octine carbonateFL/FR
4-methyl-4-phenyl pentanoneFR
alpha-methylene citronellalFR
 mimosa absoluteFL/FR
 mimosa heptanalFR
 muguet undecadienalFR
 muhuhu wood oilFR
 myrcenyl acetateFL/FR
 neroli ketoneFL/FR
 neroli oilFL/FR
 nerolidolFL/FR
(Z)-6-nonen-1-alFL/FR
 nonisyl formateFR
 oakmoss absoluteFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
beta-ocimeneFL/FR
 octanal dimethyl acetalFL/FR
 octanal propylene glycol acetalFL/FR
2-octanolFL/FR
3-octyl acetateFL/FR
 octyl oxyacetaldehydeFR
 orange leaf absoluteFL/FR
 orangeflower concrete moroccoFR
 orris absoluteFL/FR
 papaya isobutyrateFL/FR
 patchouli ethanoneFR
 peach pivalateFR
 peanut oxazoleFL
 peony alcoholFR
 petitgrain cedrat oilFL/FR
 phenethyl butyl etherFR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
 phenyl glycol diacetateFR
2-phenyl propionaldehyde ethylene glycol acetalFR
3-phenyl propyl propionateFL/FR
4-phenyl-2-butanolFL/FR
isopulegolFL/FR
 rose butanoateFL/FR
 sandal octanolFR
 spicy carbonateFR
 spruce needle absoluteFL/FR
 styralyl acetateFL/FR
 styralyl alcoholFL/FR
 styralyl propionateFL/FR
 sweet pea absoluteFR
 terpinyl isobutyrateFL/FR
 terpinyl propionateFL/FR
alpha-thujene 
4-(para-tolyl)-2-butanoneFL/FR
 tricyclo(5.2.1.02,6)dec-3-enyl acetateFR
 tricyclodecenyl acetateFR
 tropical iononeFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
 valerian absoluteFL/FR
 valerian root oilFL/FR
 valerian root oil chinaFL/FR
 valerian root oil CO2 extract chinaFL/FR
 vetiver pentanoneFR
 woody bouquet 
potential uses :
 boronia
 floral
 galanga
 gardenia
 mimosa wattle
 woody
natural occurrence in :    note
 not found in nature  

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