5-ethyl-2-thiophene carboxaldehyde
Suppliers  organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :5-ethylthiophene-2-carbaldehyde
InChI :InChI=1/C7H8OS/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3
InChIKey :CLQXZICUPGZTPE-UHFFFAOYAS
SMILES :CCC1=CC=C(S1)C=O
cas number :36880-33-8
(EINECS) number :253-252-0
fl. number :15.074
molar refractivity :40.93 ± 0.3 cm3
parachor :312.0 ± 4.0 cm3
index of refraction :1.577 ± 0.02
surface tension :40.9 ± 3.0 dyne/cm
density :1.136 ± 0.06 g/cm3
polarizability :16.22 ± 0.5 10-24cm3
XlogP : 0.80
molecular weight : 140.2028200 (IUPAC)
formula :C7 H8 O S
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Givaudan :5-Ethyl-2-thiophenecarboxaldehyde
≥99%, NI, Kosher
Odor:  Almond
An almond like aromatic chemical
organoleptics :
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in propylene glycol.  		like benzaldehyde
properties :
appearence :pale yellow to brown solid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 62.00 °C. @ 760.00 mm Hg
boiling point : 225.00 to 227.00 °C. @ 760.00 mm Hg
boiling point : 65.00 °C. @ 2.00 mm Hg
vapor density :4.8 ( Air = 1 )
flash point : 193.00  °F.  TCC  ( 89.44 °C. )
logP (o/w) : 2.01
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.0012 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :78 (μg/person/day)
Threshold of concern :540 (μg/person/day)
Structure Class :II
Category :flavoring agents
 
recommendation for 5-ethyl-2-thiophene carboxaldehyde fragrance usage levels up to :
 not for fragrance use.
recommendation for 5-ethyl-2-thiophene carboxaldehyde flavor usage levels up to :
  20.0000 ppm in the flavor.
 
 
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) : 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 0.100000.50000
Edible ices, including sherbet and sorbet (03.0) : 0.200001.00000
Processed fruit (04.1) : 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 0.200001.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 0.100000.50000
Bakery wares (07.0) : 0.200001.00000
Meat and meat products, including poultry and game (08.0) : 0.100000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 0.100000.20000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0) : 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 0.100000.50000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 0.200001.00000
Ready-to-eat savouries (15.0) : 0.400002.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 0.100000.50000
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
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
5-ethylthiophene-2-carbaldehyde
(EINECS) number :253-252-0
chemidplus :036880338
EPA Substance Registry Services :36880-33-8
references :
 
5-ethylthiophene-2-carbaldehyde
fl. number :15.074
pubchem :747357
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
5-ethyl thiophene-2-carbaldehyde
5-ethyl-2-thiophenecarboxaldehyde
5-ethylthiophene-2-carbaldehyde
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 oxyacetateFL/FR
 cherry pentenoateFL/FR
 cherry propanolFL/FR
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 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
4-ethyl benzaldehydeFL/FR
 ethyl benzoyl acetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl-3,5(6)-dimethyl pyrazine mixtureFL
 furfuralFL
 geranyl crotonateFR
 heptyl isobutyrateFL/FR
2,4-hexadien-1-olFL/FR
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 :
 cherry
 meat
 nut
natural occurrence in :    note
 found in nature  

information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 02/14/2010