phenethyl formate
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Notes :
Lilac lilas syringa modifier.
 
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IUPAC name :2-phenylethyl formate
InChI :InChI=1/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey :IKDIJXDZEYHZSD-UHFFFAOYAH
SMILES :C1=CC=C(C=C1)CCOC=O
cas number :104-62-1
(EINECS) number :203-220-7
beilstein number :2044524
fema number :2864
coe number :350
jecfa number :988
fl. number :09.083
molar refractivity :42.36 ± 0.3 cm3
parachor :352.2 ± 4.0 cm3
index of refraction :1.506 ± 0.02
surface tension :37.3 ± 3.0 dyne/cm
density :1.054 ± 0.06 g/cm3
polarizability :16.79 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 150.1745000 (IUPAC)
formula :C9 H10 O2
BioActivity Analysis :474648
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2915.13.0000
fda reg :172.515
Suppliers :
Berje :Phenyl Ethyl Formate
Cargill :PHENETHYL FORMATE
natural, Kosher
Odor:  Rose, Hyacinth, Chrysanthemum
Citrus and Allied Essences :Phenyl Ethyl Formate
Odor:  reminicent of hyacinth and chrysanthemum.
Elan :phenyl ethyl formate
Kosher
Fleurchem :phenyl ethyl formate
natural
IFF :Phenyl Ethyl Formate
Odor:  Floral, Hyacinth, Green
Strong, green, cinnamic, rosy, watercress type odor that contributes a fresh, clean top note to florals. Very different to the acetate.
Moellhausen :phenylethyl formate
artifical kosher
Odor:  green-herbaceous, floral-rosy
Penta :phenethyl formate
SAFC Global® :Phenethyl formate
Kosher, ≥96%
Ungerer :Phenyl Ethyl Formate
Vigon :Phenyl Ethyl Formate
Odor:  Rose green hyacinth watercress herbal
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		rose green hyacinth watercress herbal
Luebke, William tgsc, (1987)
odor sample from :International Flavors & Fragrances Inc.
substantivity :68  Hour(s)
properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05600 to 1.06500 @ 25.00 °C.
pounds per gallon - calc. : 8.787 to 8.862
specific gravity :1.05900 to 1.06700 @ 20.00 °C.
pounds per gallon - calc. : 8.822 to 8.889
refractive index :1.50300 to 1.51300 @ 20.00 °C.
boiling point : 226.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.11000 mm/Hg @ 25.00 °C.
flash point : 196.00  °F.  TCC  ( 91.11 °C. )
logP (o/w) : 1.96
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 37/39 - Wear suitable gloves and eye/face protection.
Human experience : 6 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Gavage-Rat   [sex: M,F]  3220.00  mg/kg
(Levenstein, 1972c)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 959, 1974.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :2.10 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :30.00 (μg/capita/day)
Structure Class :I
 
recommendation for phenethyl formate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for phenethyl formate 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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
2-phenylethyl formate
(EINECS) number :203-220-7
RTECS :LQ9400000 for cas# 104-62-1
chemidplus :000104621
EPA Substance Registry Services :104-62-1
dtp/nci :404456
references :
 
2-phenylethyl formate
fl. number :09.083
jecfa number :988
NIST Chemistry WebBook :3030419709
pubchem :150802
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 :
 benzene ethanol formate
 benzyl carbinyl formate
 benzyl carbinyl methanoate
 formic acid 2-phenethyl ester
 formic acid 2-phenyl ethyl ester
 phenethyl alcohol formate
2-phenethyl formate
 phenyl ethyl alcohol formate
 phenyl ethyl formate
2-phenyl ethyl formate
beta-phenyl ethyl formate
2-phenyl ethyl methanoate
2-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
2-phenoxyethyl formate
3-phenyl propyl formate
 prenyl formate
 propyl formate
isopropyl formate
isopulegyl formate
 rhodinyl formate
 styralyl formate
 sulfuryl formate
 terpinyl formate
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 bleach
 deo stick
 detergent perborate
 fabric softener
 liquid detergent
 shampoo
potential blenders :    note
 acetaldehyde ethyl phenethyl acetalFL/FR
6-acetoxydihydrotheaspiraneFL/FR
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 basil oleoresin sweetFL/FR
 benzaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl isobutyrateFL/FR
 benzyl isothiocyanateFL
 benzyl methyl etherFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bois de rose oilFL/FR
isobutyl benzoateFL/FR
isobutyl quinolineFR
isobutyl quinolineFR
isobutyl salicylateFL/FR
 caraway seed oilFL/FR
 carnation absoluteFR
 carrot seed oilFL/FR
 cassia bark oilFL/FR
 champaca absoluteFR
 champaca flower oilFR
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 citrus carbaldehyde / methyl anthranilate schiff's baseFR
 clary sage absoluteFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
para-cresyl phenyl acetateFL/FR
(-)-cubenol 
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
beta-damasconeFL/FR
gamma-damasconeFR
 decanalFL/FR
9-decen-1-olFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl propionateFR
 dimethyl salicylateFL/FR
2,4-dimethyl thiazoleFL
 diphenyl oxideFL/FR
(E)-ethyl geranateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl vanillinFL/FR
 floral pyranolFR
 galbanum ketoneFR
 genet absoluteFL/FR
 geraniolFL/FR
 geranyl acetateFL/FR
 geranyl formateFL/FR
 green acetateFR
 green etherFL/FR
 guaiacyl phenyl acetateFL/FR
(-)-guaiolFR
 guaiyl acetateFL/FR
 heliotropyl diethyl acetalFR
 heptyl butyrateFL/FR
 heptyl cinnamateFL/FR
 hexanal diethyl acetalFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 hexyl acetateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 hyacinth absoluteFL/FR
 hyacinth butanalFR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 ionones 
2,4-ivy carbaldehydeFL/FR
 kewda absolute 
 kewda oil 
 lavender absoluteFL/FR
 leaf acetalFL/FR
 leafy acetalFL/FR
 leather cyclohexanolFR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 melon nonenoateFL/FR
 methyl acetophenoneFL/FR
 methyl benzoateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptenoneFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl isoeugenolFL/FR
 methyl phenyl acetateFL/FR
2-methyl undecanalFL/FR
 muguet carboxaldehydeFR
 muguet undecadienalFR
 musks 
 narcissus acetateFL/FR
 nerolFL/FR
 neryl acetateFL/FR
 nonanalFL/FR
 nonanolFL/FR
 ocean propanalFL/FR
 orange oilFL/FR
 orangeflower absoluteFL/FR
 patchouli ethanoneFR
 peony alcoholFR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl isobutyrateFL/FR
2-phenethyl isothiocyanateFL
 phenethyl oxyacetaldehydeFR
 phenethyl propionateFL/FR
 phenethyl salicylateFL/FR
 phenoxyacetaldehyde 50% in benzyl alcoholFR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde / methyl anthranilate schiff's baseFR
 phenyl acetaldehyde dimethyl acetalFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
 phenyl glycol diacetateFR
2-phenyl propionaldehydeFL/FR
3-phenyl propionaldehydeFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
2-phenyl propyl acetateFL/FR
(R)-2-phenyl propyl alcoholFL/FR
2-phenyl propyl alcoholFL/FR
3-phenyl propyl alcoholFL/FR
3-phenyl propyl formateFL/FR
 phenyl propyl phenyl acetateFL/FR
3-phenyl propyl propionateFL/FR
(E)-2-phenyl-1(2)-propene-1-yl acetateFR
ketoisophoroneFL/FR
 raspberry ketone methyl etherFL/FR
 reseda absoluteFR
 reseda acetalFR
 rhodinolFL/FR
 rose butanoateFL/FR
 rose oxides 
 rose pyranFR
 santallFR
 styralyl acetateFL/FR
 styralyl alcoholFL/FR
 tea acetateFR
alpha-terpineolFL/FR
alpha-terpinyl acetateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
10-undecen-1-alFL/FR
 vanillyl acetateFL/FR
 verbena absolute franceFL
 verymossFR
 violet methyl carbonateFR
 woody acetateFR
potential uses :
 acorn
 agrumen
 aldehydic
 almond blossom
 apple
 apple crabapple
 ash mountain ash
 balsam
 banana
 bark
 bayberry
 blackberry
 blue grass
 bouquet
 boxwood
 brandy
 briar sweet briar eglantine
 broom genet genista
 burberry
 capsicum
 carnation dianthus oeillet
 cascarilla
 cedar forest
 cedarleaf
 celery
 cherry
 cherry black cherry
 cherry blossom
 chestnut blossom
 chrysanthemum chrysantheme
 cider
 cilantro
 citrus
 clematis
 cloudberry bakeapple
 clover trefle le'trefle incarnat
 coffee
 cognac
 colonia
 coronilla
 crabapple blossom
 currant
 daffodil narcissus
 dahlia
 daisy
 daphne
 evergreen
 fern fougere
 flouve
 foliage
 frangipanni plumeria
 freesia
 ginger white ginger
 gooseberry
 grapefruit
 grass sweet grass
 green
 guava
 hay new mown hay foin coupe
 heather
 herbal
 hyacinth jacinthe
 hydrangea
 jackfruit
 jasmin
 jonquil narcissus jonquilla
 juniperberry
 kewda
 kiwi
 labdanum
 lavender
 leaf autumn leaf
 leather
 lilac lilas syringa
 lychee soapberry
 mango
 mango blossom
 marjoram
 mate
 meadow
 millefleurs
 muguet lily of the valley
 narcissus narcisse
 nut filbert
 nut walnut
 ocean sea
 orange bitter orange
 orchid
 pear
 pear prickly pear
 pennyroyal
 peony
 pepper tabasco pepper
 pepper tree
 peppermint
 petunia
 pine
 pineapple
 pinon cone
 plum
 plum blossom
 plum greengage plum
 privet
 privet blossom
 prune
 radish
 raspberry
 reseda mignonette
 rhubarb
 rose
 rose dog rose
 rose geranium
 rose moss rose
 rose white rose
 rose wild rose
 sherry
 starfruit
 stephanotis
 tea black tea
 tea green tea
 tobacco tabac tabaco
 topnotes
 tuberose tubereuse
 verbena verveine
 wallflower giroflee
 wasabi
 watercress nasturtium
 whiskey
 white shoulders
 wistaria wisteria glycine
 wormwood absinthium
 ylang ylang cananga
natural occurrence in :    note
 blackberry  
data pagechampaca concrete @ 0.30% S
 cider  
 coffee  
data pageosmanthus absolute @ 0.01% S
 raspberry  
 tea  
 whiskey  

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