4-ethyl benzaldehyde
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IUPAC name :4-ethylbenzaldehyde
InChI :InChI=1/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3
InChIKey :QNGNSVIICDLXHT-UHFFFAOYAN
SMILES :CCC1=CC=C(C=C1)C=O
cas number :4748-78-1
(EINECS) number :225-268-8
fema number :3756
coe number :705
jecfa number :865
fl. number :05.068
molar refractivity :42.55 ± 0.3 cm3
parachor :328.9 ± 4.0 cm3
index of refraction :1.548 ± 0.02
surface tension :36.3 ± 3.0 dyne/cm
density :1.001 ± 0.06 g/cm3
polarizability :16.87 ± 0.5 10-24cm3
XlogP : 2.60
molecular weight : 134.1751000 (IUPAC)
formula :C9 H10 O
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Penta :4-ethylbenzaldehyde
SAFC Global® :4-Ethyl benzaldehyde
≥97%, Kosher
Odor:  almond; sweet
organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		bitter almond sweet
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98000 to 1.00000 @ 25.00 °C.
pounds per gallon - calc. : 8.155 to 8.321
refractive index :1.53800 to 1.54200 @ 20.00 °C.
boiling point : 220.00 to 222.00 °C. @ 760.00 mm Hg
acid value : 3.00  max.  KOH/g
flash point : 198.00  °F.  TCC  ( 92.22 °C. )
logP (o/w) : 2.63
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 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) : 
  Oral-Rat   [sex: M,F]  1970.00  mg/kg
(Costello, 1984)

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) :0.37 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :6.00 (μg/capita/day)
Structure Class :I
 
recommendation for 4-ethyl benzaldehyde fragrance usage levels up to :
  0.6000 % in the fragrance concentrate.
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 :3
 
 
 
 
4-ethylbenzaldehyde
(EINECS) number :225-268-8
chemidplus :004748781
EPA Substance Registry Services :4748-78-1
references :
 
4-ethylbenzaldehyde
fl. number :05.068
jecfa number :865
NIST Chemistry WebBook :2565465599
pubchem :163656
Flavornet :4748-78-1
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
para-ethyl benzaldehyde
4-ethylbenzaldehyde
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetophenoneFL/FR
2-acetyl furanFL/FR
 allyl 2-ethyl butyrateFL
 allyl benzoateFR
 allyl isovalerateFL/FR
 almond oil bitterFL/FR
isoamyl 2-methyl butyrateFL/FR
 amyl butyrateFL/FR
ortho-anisaldehydeFL/FR
para-anisyl acetateFL/FR
para-anisyl propionateFL/FR
 benzaldehydeFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzaldehyde dimethyl acetalFL/FR
 benzaldehyde glycrol acetalFL/FR
2-benzofuran carboxaldehydeFL/FR
 benzyl cinnamateFL/FR
 bread thiopheneFL/FR
 butyrophenoneFL/FR
 cherry laurel oilFL
 cherry notes 
 cherry oxyacetateFL/FR
 cherry pentenoateFL/FR
 cherry propanolFL/FR
 chocolate pyrazine AFL/FR
 cinnamyl isovalerateFL/FR
 cocoa pyrazineFL/FR
 cyclohexyl cinnamateFL/FR
 cyclohexyl formateFL/FR
 dibenzyl ketoneFL/FR
2,4-dimethyl benzaldehydeFL/FR
 ethyl 2-phenyl-3-furoateFL/FR
 ethyl benzoyl acetateFL
 ethyl methyl-para-tolyl glycidateFL/FR
5-ethyl-2-thiophene carboxaldehydeFL
2-ethyl-3,5(6)-dimethyl pyrazine mixtureFL
 furfuralFL
 geranyl crotonateFR
 heptyl isobutyrateFL/FR
2,4-hexadien-1-olFL
3,4-hexane dioneFL/FR
2-hexen-1-alFL
2'-hydroxyacetophenoneFL/FR
2-methoxy-3-methyl pyrazineFL/FR
2'-methoxyacetophenoneFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
 methyl (E)-cinnamateFL/FR
 methyl benzoateFL/FR
 methyl cinnamateFL/FR
 methyl furfuracrylateFL
 methyl phenyl acetateFL/FR
4-methyl salicylaldehydeFL
3-methyl-2-buten-1-alFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3,(5 or 6)-ethoxypyrazineFL
 nutty cyclohexenoneFL/FR
laevo-perillaldehydeFL/FR
 phenyl acetaldehyde diethyl acetalFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
 phenyl pyruvic acidFL/FR
 powdery ketoneFL
 raspberry ketone methyl etherFL/FR
 tolualdehyde glyceryl acetalFL/FR
 tolualdehydes (mixed o/m/p)FL/FR
meta-tolyl aldehydeFL/FR
para-tolyl aldehydeFL/FR
potential uses :
 almond bitter almond
 cherry
 fruit
natural occurrence in :    note
data pagefeatherfew leaf oil @ trace% S

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