acetaldehyde ethyl phenethyl acetal
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IUPAC name :2-(1-ethoxyethoxy)ethylbenzene
InChI :InChI=1/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKey :QQDGMPOYFGNLMT-UHFFFAOYAT
SMILES :CCOC(C)OCCC1=CC=CC=C1
cas number :2556-10-7
(EINECS) number :219-868-9
beilstein number :2364509
coe number :10049
fl. number :06.080
molar refractivity :57.78 ± 0.3 cm3
parachor :479.7 ± 4.0 cm3
index of refraction :1.485 ± 0.02
surface tension :32.2 ± 3.0 dyne/cm
density :0.964 ± 0.06 g/cm3
polarizability :22.90 ± 0.5 10-24cm3
XlogP : 2.70
XlogP3-AA : 2.80
molecular weight : 194.2701200 (IUPAC)
formula :C12 H18 O2
NMR Predictor :Predict
 
 
export tariff code :2909.30.9000
fda reg :unspecified
Suppliers :
Givaudan :Efetaal
Odor:  Floral, Green, Hyancinth
Efetaal has a fresh floral hyacinth note with a suggestion of muguet and green leaves. Its good chemical stability allows use in many types of product.
Recommended application: Home, Fabric and Personal Care
IFF :Hyacinth Body
Odor:  Floral, Herbal, Green
Powerful, leafy, green, nasturtium and hyacinth.
Inoue :ACETALDEHYDE ETHYL PHENETHYL ACETAL
John D. Walsh :Efetaal
John D. Walsh :Hyacinth Body
Penta :acetaldehyde ethyl phenyl ethyl acetal
PFW :VEROTYL™ II
Odor:  has a leafy-green floral character, reminiscent of rose, hyacinth and lilac.
Verotyl™ II can be used in all fragrance types to enhance a floral character. It can be used at up to 20%, depending on the floral type of fragrance. There is no restriction in the use of this product according to the current IFRA-guidelines. Verotyl™ II is excellent in candles and joss sticks.
PFW :VEROTYL™
Odor:  has a leafy-green floral character, reminiscent of rose, hyacinth and lilac.
Verotyl™ can be used in all fragrance types to enhance a floral character. It can be used at up to 20%, depending on the floral type of fragrance. There is no restriction in the use of this product according to the current IFRA-guidelines. Verotyl™is excellent in candles and joss sticks.
organoleptics :
odor type :green
odor strength :medium
odor description¹ :
at 100.00 %.  		leafy green nasturtium fresh floral hyacinth
odor sample from :Naarden International
substantivity :12 hour(s) at 100.00 %
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98300 to 0.98900 @ 25.00 °C.
pounds per gallon - calc. : 8.180 to 8.229
specific gravity :0.95400 to 0.96200 @ 20.00 °C.
pounds per gallon - calc. : 7.947 to 8.014
refractive index :1.49600 to 1.50200 @ 20.00 °C.
boiling point : 110.00 °C. @ 5.00 mm Hg
boiling point : 257.00 to 258.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 2.85
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.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg
(Moreno, 1974f)

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 1S, 1992.

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
 
recommendation for acetaldehyde ethyl phenethyl acetal fragrance usage levels up to :
  4.0000 % in the fragrance concentrate.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000
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-(1-ethoxyethoxy)ethylbenzene
(EINECS) number :219-868-9
chemidplus :002556107
EPA Substance Registry Services :2556-10-7
references :
 
2-(1-ethoxyethoxy)ethylbenzene
fl. number :06.080
NIST Chemistry WebBook :2556107
pubchem :680335
Cosmetics :
Cosmetic uses : perfuming agents
solvents
tonic
other :
reference : Luebke, William tgsc, (1986)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
synonyms :
 acetal E
 acetaldehyde ethyl phenethyl acetal
 acetaldehyde ethyl phenyl ethyl acetal
 acetaldehyde ethyl 2-phenyl ethyl acetal
 efetaal
(2-(1-ethoxyethoxy)ethyl) benzene
2-(1-ethoxyethoxy)ethylbenzene
2-(1'-(ethoxy)ethoxy) ethyl benzene
1-ethoxy-1-(2-phenyl ethoxy) ethane
1-(2-((1-(ethyl oxy)ethyl)oxy)ethyl) benzene
 ethyl phenethyl acetal
 hyacinth body
 nasturtium acetal
 verdilyn
 verotyl
 vertocinth
soluble in :
 alcohol
 dipropylene glycol
 isopropyl myristate
insoluble in :
 water
stability :
 alcohol, good
 alkalis
 ammonia
 candle, excellent
 cream rinse, excellent
 deo pump spray, good
 detergent powder, good
 fabric softener, excellent
 hand cream, excellent
 household cleaners
 joss sticks, excellent
 liquid detergent, excellent
 shampoo, moderate (color)
 soap, good
potential blenders :
 algae absoluteFR
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
isoamyl acetateFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
para-anisyl alcoholFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
 carrot seed oilFL/FR
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 citrus carbaldehydeFR
 clary sage oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 cortex pyridineFL/FR
para-cresyl caprylateFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 decanalFL/FR
9-decen-1-olFL/FR
 dihydrojasmoneFL/FR
 dihydromyrcenolFL/FR
 ethyl heptanoateFL/FR
 ethyl laurateFL/FR
 ethyl phenyl acetateFL/FR
 fir balsam absoluteFL/FR
 fir needle oilFL/FR
 floral pyranolFR
 galbanum oilFL/FR
 gardenia oxideFR
 geraniolFL/FR
 geranyl acetateFL/FR
 grapefruit pentanolFR
 green acetateFR
 heliotropyl acetoneFL/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 salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl acetateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl tiglateFL/FR
 hyacinth etherFR
 ionones 
2,4-ivy carbaldehydeFL/FR
 leaf acetalFL/FR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptine carbonateFL/FR
 methyl isoeugenolFL/FR
 methyl octine carbonateFL/FR
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 muguet octadienolFR
beta-naphthyl ethyl etherFL/FR
 narcissus absoluteFR
 nerolFL/FR
 nerolidolFL/FR
 neryl acetateFL/FR
 nonanalFL/FR
 nonanolFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 orange oilFL/FR
 patchouli ethanoneFR
 peony alcoholFR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl propionateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 rose oxides 
 santallFR
 styralyl acetateFL/FR
alpha-terpineolFL/FR
alpha-terpinyl acetateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
10-undecen-1-alFL/FR
 verbena oilFL
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 watermelon ketoneFR
 woody amyleneFR
potential uses :
 agrumen
 aldehydic
 algae
 amaryllis
 apple crabapple
 ash mountain ash
 ash mountain ash blossom
 bean
 bouquet
 boxwood blossom
 boxwoodberry
 cassis black currant bud
 cedar forest
 celery
 chamomile
 cherry blossom
 chestnut blossom
 cilantro
 citronella
 clematis
 cortex
 crabapple blossom
 daffodil narcissus
 davana
 evergreen
 fagonia
 fantasy blends
 fern fougere
 fig
 fir balsam
 fir needle
 floral
 foliage
 gardenia
 geranium
 green
 herbal
 hyacinth jacinthe
 hydrangea
 ivy leaf
 jasmin
 jonquil narcissus jonquilla
 kewda
 leaf
 lilac lilas syringa
 lily
 liverwort
 lotus
 mate
 mimosa wattle
 muguet lily of the valley
 narcissus narcisse
 oregano
 pansy
 parsley
 pear prickly pear
 peony
 petal flower petal
 privet
 privet blossom
 reseda mignonette
 rhubarb
 rose
 stem
 stock evening scented stock
 tea
 violet
 violet leaf
 wasabi
 watercress nasturtium
 wintergreen
 wormwood absinthium
 yew
natural occurrence in :
 wine white wine - up to 0.06 mg/kg  



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