homoanisaldehyde
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IUPAC name :4-ethoxybenzaldehyde
InChI :InChI=1/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3
InChIKey :JRHHJNMASOIRDS-UHFFFAOYAT
SMILES :CCOC1=CC=C(C=C1)C=O
cas number :10031-82-0
(EINECS) number :233-093-3
beilstein number :0386863
fema number :2413
coe number :626
jecfa number :879
fl. number :05.056
molar refractivity :44.31 ± 0.3 cm3
parachor :348.7 ± 4.0 cm3
index of refraction :1.538 ± 0.02
surface tension :36.8 ± 3.0 dyne/cm
density :1.060 ± 0.06 g/cm3
polarizability :17.56 ± 0.5 10-24cm3
XlogP : 2.10
XlogP3 : 1.60
molecular weight : 150.1745000 (IUPAC)
formula :C9 H10 O2
BioActivity Analysis :48415443
NMR Predictor :Predict
 
 
export tariff code :2912.40
fda reg :172.515

Suppliers :
Fontarome :4-ETHOXY BENZALDEHYDE
Odor:  Sweet and floral
Inoue :4-ETHOXYBENZALDEHYDE
Penta :p-ethoxybenzaldehyde
Pfaltz & Bauer :p-Ethoxybenzaldehyde
Sigma-Aldrich-SAFC :4-Ethoxybenzaldehyde
≥99%, Kosher
TCI AMERICA :4-Ethoxybenzaldehyde
>98.0%(T)

organoleptics :
odor type :spicy
odor strength :medium
odor description :
at 100.00 %.  
sweet spicy floral anisic

properties :
appearence :colorless to pale rose yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.07800 to 1.08400 @ 25.00 °C.
pounds per gallon - calc. : 8.970 to 9.020
refractive index :1.55600 to 1.56400 @ 20.00 °C.
melting point : 13.00 to 14.00 °C. @ 760.00 mm Hg
boiling point : 249.00 to 250.00 °C. @ 760.00 mm Hg
boiling point : 140.00 °C. @ 20.00 mm Hg
acid value : 6.00  max.  KOH/g
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 2.23

safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing and eye/face protection.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    2100.00  mg/kg
(Moreno, 1977ad)

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 18, Pg. 681, 1980.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.073 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.01 (μg/capita/day)
 
recommendation for homoanisaldehyde usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for homoanisaldehyde usage levels up to :
  1.0000 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
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 4-ethoxybenzaldehyde
(EINECS) number :233-093-3
RTECS :CU6100000 for 10031-82-0
chemidplus :010031820
EPA Substance Registry Services :10031-82-0
dtp/nci :406709

references :
 4-ethoxybenzaldehyde
fl. number :05.056
jecfa number :879
NIST Chemistry WebBook :2670385128
pubchem :167628

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
4-ethoxybenzaldehyde
para-ethoxybenzaldehyde

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde dimethyl acetal
 acetanisole
 acetophenone
 acorn acetate
 amyl furoate
 amyl isoeugenol
(E)-anethol
(Z)-anethole
ortho-anisaldehyde
para-anisaldehyde
para-anisaldehyde / methyl anthranilate schiff's base
para-anisaldehyde dimethyl acetal
 anise indene
 anise oil
 anise oleoresin
 anise seed oil
 anise seed oil star
 anise seed oil star terpeneless
 anisonitrile
para-anisyl acetaldehyde
para-anisyl alcohol
para-anisyl methyl ketone
para-anisyl phenyl acetate
para-anisyl propanal
 anisyl propanal / methyl anthranilate schiff's base
 autumn carboxylate
 basil oil
 berry hexanoate
isobutyl cinnamate
2-butyl-3-methyl pyrazine
 cananga leaf oil
 cardamom absolute
 cinnamyl acetate
 cinnamyl alcohol
 cinnamyl butyrate
 cinnamyl isobutyrate
 clary sage absolute
 clausena anisata hook. f. leaf oil
isocyclogeraniol
 dehydro-ar-ionene
 dihydroanethol
 earthy indane
 elder flowers absolute
 estragon oil
para-ethyl acetophenone
4-ethyl anisole
 ethyl cinnamate
 ethyl para-anisate
O-ethyl S-(2-furyl methyl) thiocarbonate
 ethyl sorbate
isoeugenyl acetate
isoeugenyl ethyl acetal
 fennel absolute sweet
 fennel flower oil bitter lithuania
 fennel oleoresin sweet
 fennel seed oil bitter lithuania
 floral nitrile
 hawthorn acetate
 hawthorn carbinol
 heliotropyl acetate
 heliotropyl diethyl acetal
(E,E)-2,4-hexadien-1-al
(Z)-3-hexen-1-yl cinnamate
4'-hydroxyacetophenone
(Z)-jasmone
 linalyl cinnamate
2'-methoxyacetophenone
(E)-para-methoxycinnamaldehyde
 methyl acetophenone
4-methyl biphenyl
 methyl furfuracrylate
(±)-3-((2-methyl-3-furyl)thio)-2-butanone
 octyl cinnamate
 patchouli ethanone
 peru balsam oil
 peru balsam resinoid
2-phenoxyethyl formate
(R)-2-phenyl propyl alcohol
 poplar bud oleoresin
 powdery ketone
 propiophenone
 propyl 4-hydroxybenzoate
isopropyl anthranilate
 rhubarb oxirane
 rose oil
 sassafras acetate
 tetrahydrofurfuryl cinnamate
(E)-tiglic aldehyde
 tuberose absolute
 tuberose absolute concrete
 ylang ylang absolute

(odor and/or flavor) used in :
 floral
 hawthorn
 spicy

natural occurrence in :
not found in nature



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