bread thiophene
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IUPAC name :
5-methylthiophene-2-carbaldehyde
InChI :
InChI=1/C6H6OS/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
InChIKey :
VAUMDUIUEPIGHM-UHFFFAOYAF
SMILES :
CC1=CC=C(S1)C=O
cas number :
13679-70-4
(EINECS) number :
237-178-6
beilstein number :
0106896
fema number :
3209
coe number :
2203
jecfa number :
1050
fl. number :
15.004
molar refractivity :
36.21 ± 0.3 cm3
parachor :
273.1 ± 4.0 cm3
index of refraction :
1.593 ± 0.02
surface tension :
42.6 ± 3.0 dyne/cm
density :
1.180 ± 0.06 g/cm3
polarizability :
14.35 ± 0.5 10-24cm3
XlogP :
0.60
XlogP3-AA :
1.80
molecular weight :
126.1762400
(IUPAC)
formula :
C6 H6 O S
BioActivity Analysis :
124214
NMR Predictor :
Predict
export tariff code :
2934.90
fda reg :
unspecified
Suppliers :
Nanjing :
5-methylthiophene-2-carboxaldehyde
Penta :
5-methyl-2-thiophenecarboxaldehyde
Pfaltz & Bauer :
5-Methyl-2-Thiophenecarboxaldehyde
97%
Sigma-Aldrich-SAFC :
5-Methyl-2-thiophenecarboxaldehyde
≥98%, Kosher
TCI AMERICA :
5-Methylthiophene-2-aldehyde (=5-Methyl-2-thiophenecarboxaldehyde)
>97.0%(GC)
organoleptics :
odor type :
fruity
odor strength :
high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.
sweet almond cherry furfural woody acetophenone
properties :
appearence :
colorless to amber brown clear liquid
assay :
98.00 to 100.00 %
Food Chemicals Codex Listed :
No
specific gravity :
1.17000 @ 25.00 °C.
refractive index :
1.58300 @ 20.00 °C.
boiling point :
113.00 to 114.00 °C. @ 25.00 mm Hg
boiling point :
52.50 °C. @ 0.70 mm Hg
flash point :
190.00 °F. TCC ( 87.78 °C. )
logP (o/w) :
1.48
safety :
most important hazard(s) :
None - None found.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
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) :
0.73 (μg/capita/day)
recommendation for bread thiophene usage levels up to :
not for fragrance use.
recommendation for bread thiophene usage levels up to :
5.0000 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 :
3
5-methylthiophene-2-carbaldehyde
(EINECS) number :
237-178-6
chemidplus :
013679704
EPA Substance Registry Services :
13679-70-4
dtp/nci :
87542
references :
5-methylthiophene-2-carbaldehyde
fl. number :
15.004
jecfa number :
1050
NIST Chemistry WebBook :
3941930704
pubchem :
198052
other :
VCF-Online:
VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)
View
synonyms :
formyl methyl thiophene
2-
formyl-5-methyl thiophene
5-
methyl thiophene-2-carbaldehyde
5-
methyl-2-formyl thiophene
5-
methyl-2-thenaldehyde
5-
methyl-2-thiophene carboxaldehyde
5-
methylthiophene-2-carbaldehyde
soluble in :
alcohol
insoluble in :
water
(odor and/or flavor) blends with :
acetophenone
2-
acetyl furan
2-
acetyl pyrazine
2-
acetyl pyrrole
2-
acetyl-2-thiazoline
allyl 2-ethyl butyrate
allyl benzoate
allyl isovalerate
almond oil bitter
iso
amyl 2-methyl butyrate
amyl butyrate
ortho-
anisaldehyde
para-
anisyl acetate
para-
anisyl propionate
benzaldehyde
benzaldehyde / methyl anthranilate schiff's base
benzaldehyde dimethyl acetal
benzaldehyde glycrol acetal
2-
benzofuran carboxaldehyde
benzyl cinnamate
butyraldehyde
butyrophenone
caraway seed oleoresin
dextro-
carvone
cherry laurel oil
cherry oxyacetate
cherry pentenoate
cherry propanol
chocolate pyrazine A
chocolate pyrazine B
cinnamyl isovalerate
cocoa pyrazine
coffee furanone
para-
cresyl propionaldehyde
cyclohexyl cinnamate
cyclohexyl formate
dibenzyl ketone
2,5-
dihydroxy-1,4-dithiane
diisoamyl thiomalate
2,4-
dimethyl benzaldehyde
2,6-
dimethyl pyridine
ethyl 2-phenyl-3-furoate
4-
ethyl benzaldehyde
ethyl benzoyl acetate
ethyl methyl-para-tolyl glycidate
5-
ethyl-2-thiophene carboxaldehyde
2-
ethyl-3,5(6)-dimethyl pyrazine mixture
filbert pyrazine
furfural
furfuryl alcohol
furfuryl octanoate
geranyl crotonate
laevo-
glutamic acid
heliotropin
heliotropyl acetone
heptyl isobutyrate
2,4-
hexadien-1-ol
3,4-
hexane dione
2-
hexen-1-al
2'-
hydroxyacetophenone
maltol
2-
methoxy-3-methyl pyrazine
2'-
methoxyacetophenone
(E)-para-
methoxycinnamaldehyde
para-
methoxycinnamaldehyde
methyl (E)-cinnamate
methyl benzoate
methyl cinnamate
methyl furfuracrylate
methyl phenyl acetate
4-
methyl salicylaldehyde
3-
methyl-2-buten-1-al
2-
methyl-3-(methyl thio) pyrazine
2-
methyl-3,(5 or 6)-ethoxypyrazine
nutty cyclohexenone
laevo-
perillaldehyde
phenyl acetaldehyde diethyl acetal
phenyl acetaldehyde diisobutyl acetal
phenyl pyruvic acid
4-
phenyl-2-butanol
powdery ketone
prenyl acetate
2-
propionyl thiazole
raspberry ketone methyl ether
shoyu furanone
toffee furanone
tolualdehyde glyceryl acetal
tolualdehydes (mixed o/m/p)
meta-
tolyl aldehyde
para-
tolyl aldehyde
vanillyl acetate
(odor and/or flavor) used in :
almond
blackberry
cherry
nut hazelnut
nut peanut
vanilla
natural occurrence in :
bread wheat bread
coffee
krill
peanut roasted peanut
tomato
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