(E)-tiglaldehyde
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 :(E)-2-methylbut-2-enal
InChI :InChI=1/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+
InChIKey :ACWQBUSCFPJUPN-HWKANZROBA
SMILES :C\C=C(/C)\C=O
cas number :497-03-0
(EINECS) number :207-833-0
beilstein number :1698207
fema number :3407
fl. number :05.095
molar refractivity :25.30 ± 0.3 cm3
parachor :223.3 ± 4.0 cm3
index of refraction :1.411 ± 0.02
surface tension :23.1 ± 3.0 dyne/cm
density :0.826 ± 0.06 g/cm3
polarizability :10.02 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 84.1164200 (IUPAC)
formula :C5 H8 O
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Need This Molecule?:You can contact the Chemical Sources Association and ask the Sourceress.
organoleptics :
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		strong green fruit
properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86800 to 0.87300 @ 20.00 °C.
pounds per gallon - calc. : 7.231 to 7.273
refractive index :1.44500 to 1.45000 @ 20.00 °C.
boiling point : 117.00 to 118.00 °C. @ 760.00 mm Hg
acid value : 3.00  max.  KOH/g
vapor pressure :17.10000 mm/Hg @ 25.00 °C.
flash point : 70.00  °F.  TCC  ( 21.11 °C. )
logP (o/w) : 1.15
safety :
most important hazard(s) :Xi - Irritant
  R 11 - Highly flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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.
Oral Toxicity(LD50) : 
  Not determined
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) :0.61 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.20 (μg/capita/day)
Structure Class :I
 
recommendation for (E)-tiglaldehyde fragrance usage levels up to :
  0.0500 % 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
Chemical Carcinogenesis Research Information System :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1989
 
WGK Germany :3
 
 
 
 
(E)-2-methylbut-2-enal
(EINECS) number :207-833-0
chemidplus :000497030
EPA Substance Registry Services :497-03-0
references :
 
(E)-2-methylbut-2-enal
fl. number :05.095
NIST Chemistry WebBook :1850923030
pubchem :153609
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(E)-2,3-dimethyl acrolein
(E)-alpha,beta-dimethyl acrolein
(E)-2-methyl crotonaldehyde
(E)-alpha-methyl crotonaldehyde
(E)-methyl-2-butenal
(E)-2-methyl-2-butenal
(E)-2-methylbut-2-enal
soluble in :
 alcohol
 water, 25000 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
 acetaldehyde 1,3-octane diol acetalFL
 acetaldehyde diisoamyl acetalFL/FR
 acetoin butyrateFL
2-acetyl furanFL/FR
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
2-acetyl-2-thiazolineFL
isoamyl 3-methyl thiopropionateFL
isoamyl propionateFL/FR
 benzophenoneFL/FR
 benzothiazoleFL
 benzyl mercaptanFL
 benzyl methyl sulfideFL
 butyl butyryl lactateFL/FR
 butyl mercaptanFL
2-isobutyl thiazoleFL/FR
 butyric acidFL
isobutyric acidFL
 caramel furanoneFL
laevo-citronellolFL/FR
 citronellyl acetateFL/FR
 citronellyl isobutyrateFL/FR
(E)-citronellyl tiglateFL/FR
 cocoa hexenalFL/FR
 cocoa pyrazineFL/FR
 coffee difuranFL
 coffee dioneFL/FR
 coffee pyrazineFL
 cyclohexyl acetic acidFL
 cyclohexyl carboxylic acidFL/FR
 cyclohexyl propanolFR
(E,Z)-2,4-decadien-1-al 
 dibutyl sulfideFL/FR
 dicyclohexyl disulfideFL
 difurfuryl etherFL
 difurfuryl sulfideFL
 dihydrorose oxideFR
2,5-dihydroxy-1,4-dithianeFL
 diisoamyl thiomalateFL
2,3-dimethyl pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
 dimethyl sulfideFL
 dimethyl sulfoxideFL
2,4-dimethyl thiazoleFL
4,5-dimethyl-2-ethyl-3-thiazolineFL
6,8-dimethyl-2-nonanolFR
2,4-dimethyl-2-pentenoic acidFL
2,5-dimethyl-3-thiofuroyl furanFL
 diphenyl methaneFL/FR
 diphenyl oxideFL/FR
 ethyl 3-(furfuryl thio) propionateFL
 ethyl 3-octenoateFL
2-ethyl butyraldehydeFL
 ethyl cyclohexyl carboxylateFL
 ethyl formateFL/FR
 ethyl methyl mercaptopropionateFL/FR
 ethyl methyl sulfideFL
S-ethyl thioacetateFL
2-ethyl-3,5(6)-dimethyl pyrazine mixtureFL
 filbert heptenoneFL/FR
 filbert hexenoneFL/FR
 fish thiolFL
 floral pyranFR
 furfuryl alcoholFL
 furfuryl isopropyl sulfideFL
 furfuryl mercaptanFL/FR
 furfuryl methyl etherFL
 furfuryl propionateFL
1-furfuryl pyrroleFL/FR
 furfuryl thioacetateFL
S-furfuryl thioformateFL/FR
 furfuryl thiopropionateFL
 geranium cyclohexaneFL/FR
 geranium dihydropyranFR
 geranium nitrileFR
 geranium pyranFR
 geranium thiazoleFL/FR
 geranyl hexanoateFL/FR
 geranyl nonanoateCS
 geranyl tiglateFL/FR
(E,E)-2,4-heptadien-1-olFL
2,3-heptane dioneFL/FR
4-heptanoneFL/FR
1-hepten-3-olFL/FR
 hexanoic acidFL/FR
(E)-2-hexen-1-alFL/FR
3-hexen-1-alFL/FR
(E)-4-hexen-1-olFL
(Z)-4-hexen-1-olFL/FR
(Z)-3-hexenoic acidFL
1-hydroxy-2-butanoneFL/FR
 meaty dithianeFL
 menthofuranFL/FR
 methionalFL
2-methyl 3-(methyl thio) furan 10% in triacetinFL
 methyl 3-(methyl thio) propionateFL/FR
 methyl 4-(methyl thio) butyrateFL
 methyl 4-methyl valerateFL
2-methyl 5-(methyl thio) furanFL
2-methyl butyl isovalerateFL/FR
2-methyl butyraldehydeFL
2-methyl butyric acidFL/FR
 methyl citronellateFL/FR
 methyl cyclopentenoloneFL/FR
 methyl furfuryl disulfideFL
2-methyl heptanoic acidFL/FR
2-methyl hexanoic acidFL/FR
5-methyl hexanoic acidFL
S-methyl methioninium chloride 
4-methyl nonanoic acidFL
4-methyl pentanoic acidFL
 methyl propyl disulfideFL
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
S-(methyl thio) butyrateFL
 methyl thiol isovalerateFL
2-methyl valeric acidFL/FR
3-methyl valeric acidFL
2-methyl-2-hexenoic acidFL
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
2-methyl-3-tetrahydrofuran thiolFL
2-methyl-4-pentenoic acidFL
2-methyl-5-isopropyl pyrazineFL
 musk acetateFR
 nonanoic acidFL
2-nonanolFL/FR
 nutty quinoxalineFL/FR
2,4-octadien-1-olFL/FR
2-octen-4-oneFL/FR
(E)-2-octenoic acidFL
(E)-2-penten-1-alFL/FR
1-penten-3-olFL/FR
(E)-2-pentenoic acidFL
4-pentenoic acidFL
 peony acetonitrileFR
 phenethyl pivalateFL/FR
 phenyl acetaldehyde digeranyl acetalFR
 potato butanoneFL
 prenyl hexanoateFL/FR
 propyl formateFL/FR
isopropyl mercaptanFL
 rhodinyl propionateFL/FR
(Z)-rose oxideFL/FR
laevo-rose oxideFL/FR
 sorbyl butyrateFL/FR
2,3,5,6-tetramethyl pyrazineFL
2-thienyl mercaptanFL
2-thiophene thiolFL
2,4,5-trimethyl thiazoleFL/FR
 tropical 3-thiobutyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
 undecanoic acidFL/FR
2,6-xylenolFR
potential uses :
 almond
 cheese
 cherry
 chicken
 coffee
 fruit tropical fruit
 grape
 green
 tomato
 vanilla
natural occurrence in :    note
data pagelavender oil spike spain @ 0.002% S

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 02/20/2010