EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-acetyl-5-methyl thiophene
1-(5-methylthiophen-2-yl)ethanone

Sponsors

Name:1-(5-methylthiophen-2-yl)ethanone
CAS Number: 13679-74-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:237-181-2
FDA UNII:2HS3I278W9
Nikkaji Web:J45.610A
Beilstein Number:0110854
MDL:MFCD00014529
XlogP3-AA:2.00 (est)
Molecular Weight:140.20496000
Formula:C7 H8 O S
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:2107 2-acetyl-5-methylthiophene
FEMA Number:4643 2-acetyl-5-methylthiophene
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-ACETYL-5-METHYLTHIOPHENE
 
Physical Properties:
Appearance:colorless to pale yellow liquid to crystalline powder (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.12000 to 1.13000 @ 20.00 °C.
Pounds per Gallon - (est).: 9.330 to 9.414
Refractive Index:1.55700 to 1.56700 @ 20.00 °C.
Melting Point: 24.00 to 28.00 °C. @ 760.00 mm Hg
Boiling Point: 232.00 to 234.00 °C. @ 760.00 mm Hg
Boiling Point: 65.00 to 67.00 °C. @ 1.00 mm Hg
Vapor Pressure:0.052000 mm/Hg @ 25.00 °C. (est)
Flash Point: 204.00 °F. TCC ( 95.56 °C. )
logP (o/w): 1.345 (est)
Soluble in:
 alcohol
 water, 1510 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
2-acetyl-3-methyl thiophene
 
Organoleptic Properties:
Odor Type: spicy
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
Substantivity:11 hour(s) at 100.00 %
sweet spicy honey hawthorn almond acacia hyacinth caramellic graham cracker
Odor Description:at 1.00 % in propylene glycol. sweet spicy honey hawthorn almond acacia hyacinth caramellic graham cracker
Odor sample from: R C Treatt and Co Ltd
Flavor Type: floral
sweet floral green nutty almond honey acacia caramellic hawthorn
Taste Description: sweet floral green nutty almond honey acacia caramellic hawthorn
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
2-Acetyl-5-methylthiophene
BOC Sciences
For experimental / research use only.
2-Acetyl-5-methylthiophene
Carbosynth
For experimental / research use only.
2-Acetyl-5-methylthiophene
Endeavour Specialty Chemicals
2-Acetyl-5-methylthiophene 98% F&F
Speciality Chemical Product Groups
Matrix Scientific
For experimental / research use only.
2-Acetyl-5-methylthiophene, 95+%
Penta International
2-ACETYL-5-METHYLTHIOPHENE
Robinson Brothers
2-Acetyl-5-methylthiophene F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
2-Acetyl-5-methylthiophene
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Acetyl-5-methylthiophene 98%
TCI AMERICA
For experimental / research use only.
2-Acetyl-5-methylthiophene >96.0%(GC)
Treatt
2-Acetyl-5-methylthiophene
Kosher
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 230 mg/kg
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Annales Pharmaceutiques Francaises. Vol. 5, Pg. 16, 1947.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2-acetyl-5-methyl thiophene usage levels up to:
 not for fragrance use.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 24
 average usual ppmaverage maximum ppm
baked goods: 0.005000.05000
beverages(nonalcoholic): 0.001000.01000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: 0.001000.01000
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: 0.003000.10000
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :83655
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3082
WGK Germany:3
1-(5-methylthiophen-2-yl)ethanone
Chemidplus:0013679748
RTECS:OB4972000 for cas# 13679-74-8
 
References:
 1-(5-methylthiophen-2-yl)ethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):83655
Pubchem (sid):135041228
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB33130
FooDB:FDB011131
Export Tariff Code:2934.99.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
para-
cresyl phenyl acetate
FL/FR
anisic
para-
anisyl phenyl acetate
FL/FR
balsamic
sumatra
benzoin absolute
FL/FR
sumatra
benzoin resin
FL/FR
sumatra
benzoin resinoid
FL/FR
(E)-
benzyl tiglate
FL/FR
alpha-
bisabolene
FL/FR
(E)-
cinnamyl alcohol
FL/FR
cinnamyl alcohol
FL/FR
cinnamyl benzoate
FL/FR
cinnamyl cinnamate
FL/FR
copaiba balsam oil
FL/FR
ethyl cinnamate
FL/FR
frankincense absolute
FL/FR
methyl (E)-cinnamate
FL/FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax oil (commiphora erythraea var. glabrescens engle)
FL/FR
2-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl cinnamate
FL/FR
tolu balsam oil
FL/FR
annus
wormwood oil france
FL/FR
chemical
styralyl alcohol
FL/FR
chocolate
cocoa hexenal
FL/FR
2-
methoxy-3-methyl pyrazine
FL/FR
citrus
bergamot oil turkey
FL/FR
fermented
hexanal diethyl acetal
FL/FR
floral
alpha-
amyl cinnamyl acetate
FL/FR
iso
amyl salicylate
FL/FR
cardamom absolute
FL/FR
cinnamyl phenyl acetate
FL/FR
citronellal
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl butyrate
FL/FR
citronellyl propionate
FL/FR
cyclohexyl ethyl acetate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
ethyl hydrocinnamate
FL/FR
geranyl acetate
FL/FR
geranyl formate
FL/FR
geranyl hexanoate
FL/FR
heliotropin
FL/FR
heliotropyl acetone
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
hydroxycitronellol
FL/FR
beta-
ionone
FL/FR
linalool oxide
FL/FR
para-
methyl acetophenone
FL/FR
para-
methyl benzyl acetate
FL/FR
mimosa absolute morocco
FL/FR
neroli oil CO2 extract
FL/FR
(E)-
nerolidol
FL/FR
nerolidol
FL/FR
3-
nonanon-1-yl acetate
FL/FR
orange leaf absolute
FL/FR
papaya isobutyrate
FL/FR
phenethyl benzoate
FL/FR
phenethyl butyrate
FL/FR
phenethyl formate
FL/FR
phenethyl phenyl acetate
FL/FR
phenethyl salicylate
FL/FR
(S)-2-
phenyl propionaldehyde
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
2-
phenyl propyl acetate
FL/FR
(R)-2-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl formate
FL/FR
3-
phenyl propyl propionate
FL/FR
4-
phenyl-2-butanol
FL/FR
2-
phenyl-2-pentenal
FL/FR
iso
propyl anthranilate
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
rose butanoate
FL/FR
fruity
allyl 2-ethyl butyrate
FL/FR
benzyl methyl ether
FL/FR
bread thiophene
FL/FR
cinnamyl isobutyrate
FL/FR
decen-1-yl cyclopentanone
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
geranyl butyrate
FL/FR
3-
methyl-2-butenal
FL/FR
prenyl acetate
FL/FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
green ether
FL/FR
heptyl cinnamate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
hyacinth absolute
FL/FR
leafy acetal
FL/FR
marigold pot absolute
FL/FR
phenyl acetaldehyde
FL/FR
2-
phenyl propionaldehyde
FL/FR
tiglaldehyde
FL/FR
herbal
linalyl acetate
FL/FR
methyl ortho-anisate
FL/FR
T-
muurolol
FL/FR
rosmarinus officinalis extract
FL/FR
honey
methyl hydrocinnamate
FL/FR
medicinal
2-
hydroxybenzaldehyde
FL/FR
nutty
2-
methyl-3-propyl pyrazine
FL/FR
powdery
para-
anisyl alcohol
FL/FR
spicy
alpha-
amyl cinnamyl alcohol
FL/FR
para-
anisyl formate
FL/FR
bay leaf oil terpeneless
FL/FR
benzyl isoeugenol
FL/FR
cinnamon bark oil (cinnamomum zeylanicum) india
FL/FR
(E)-
cinnamyl acetate
FL/FR
cinnamyl acetate
FL/FR
eugenyl phenyl acetate
FL/FR
mace oil CO2 extract
FL/FR
ortho-
methoxycinnamaldehyde
FL/FR
myrcene
FR
nutmeg absolute
FL/FR
nutmeg oil CO2 extract
FL/FR
spicy acetoacetate
FL/FR
annus
wormwood oil vietnam
FL/FR
vanilla
vanillyl acetate
FL/FR
waxy
orris rhizome oil CO2 extract
FL/FR
woody
patchouli oil
FL/FR
patchouli oil molecular distilled
FL/FR
For Flavor
No flavor group found for these
alpha-
bisabolene
FL/FR
(E)-
cinnamyl acetate
FL/FR
(E)-
cinnamyl alcohol
FL/FR
cinnamyl benzoate
FL/FR
cinnamyl phenyl acetate
FL/FR
ethyl hydrocinnamate
FL/FR
eugenyl phenyl acetate
FL/FR
heptyl cinnamate
FL/FR
hexanal diethyl acetal
FL/FR
hyacinth absolute
FL/FR
methyl (E)-cinnamate
FL/FR
methyl hydrocinnamate
FL/FR
methyl ortho-anisate
FL/FR
T-
muurolol
FL/FR
(S)-2-
phenyl propionaldehyde
FL/FR
2-
phenyl propyl acetate
FL/FR
(R)-2-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl formate
FL/FR
3-
phenyl propyl propionate
FL/FR
iso
propyl anthranilate
FL/FR
annus
wormwood oil france
FL/FR
anisic
anisic
para-
anisyl phenyl acetate
FL/FR
aromatic
leafy acetal
FL/FR
balsamic
sumatra
benzoin resin
FL/FR
sumatra
benzoin resinoid
FL/FR
(E)-
benzyl tiglate
FL/FR
copaiba balsam oil
FL/FR
ethyl cinnamate
FL/FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax oil (commiphora erythraea var. glabrescens engle)
FL/FR
tolu balsam oil
FL/FR
berry
heliotropyl acetone
FL/FR
chemical
styralyl alcohol
FL/FR
cherry
heliotropin
FL/FR
citrus
bergamot oil turkey
FL/FR
cocoa
cocoa hexenal
FL/FR
2-
methyl furan
FL
creamy
para-
methyl acetophenone
FL/FR
earthy
alpha-
amyl cinnamyl acetate
FL/FR
2-
methyl-3-propyl pyrazine
FL/FR
ethereal
allyl 2-ethyl butyrate
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
floral
cardamom absolute
FL/FR
citronellal
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl propionate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
linalyl acetate
FL/FR
mimosa absolute morocco
FL/FR
neroli oil CO2 extract
FL/FR
orange leaf absolute
FL/FR
phenethyl benzoate
FL/FR
4-
phenyl-2-butanol
FL/FR
rose absolute (rosa centifolia) morocco
FL/FR
fruity
para-
anisyl alcohol
FL/FR
benzyl methyl ether
FL/FR
bread thiophene
FL/FR
cinnamyl isobutyrate
FL/FR
citronellyl butyrate
FL/FR
decen-1-yl cyclopentanone
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
geranyl butyrate
FL/FR
geranyl hexanoate
FL/FR
para-
methyl benzyl acetate
FL/FR
3-
methyl-2-butenal
FL/FR
3-
nonanon-1-yl acetate
FL/FR
phenethyl butyrate
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
prenyl acetate
FL/FR
rose butanoate
FL/FR
tiglaldehyde
FL/FR
green
acetaldehyde ethyl phenethyl acetal
FL/FR
iso
amyl salicylate
FL/FR
cinnamyl alcohol
FL/FR
cyclohexyl ethyl acetate
FL/FR
geranyl acetate
FL/FR
geranyl formate
FL/FR
green ether
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
hibiscus distillates
FL
linalool oxide
FL/FR
marigold pot absolute
FL/FR
nerolidol
FL/FR
(E)-
nerolidol
FL/FR
papaya isobutyrate
FL/FR
phenethyl formate
FL/FR
2-
phenyl propionaldehyde
FL/FR
2-
phenyl propyl alcohol
FL/FR
2-
phenyl-2-pentenal
FL/FR
herbal
rosmarinus officinalis extract
FL/FR
honey
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
medicinal
frankincense absolute
FL/FR
phenethyl salicylate
FL/FR
nutty
3,5-
diethyl-2-methyl pyrazine
FL
furfural acetone
FL
2-
methoxy-3-methyl pyrazine
FL/FR
phenolic
para-
cresyl phenyl acetate
FL/FR
powdery
hydroxycitronellol
FL/FR
powdery ketone
FL
spicy
alpha-
amyl cinnamyl alcohol
FL/FR
para-
anisyl formate
FL/FR
bay leaf oil terpeneless
FL/FR
sumatra
benzoin absolute
FL/FR
benzyl isoeugenol
FL/FR
cinnamon bark oil (cinnamomum zeylanicum) india
FL/FR
cinnamyl acetate
FL/FR
cinnamyl cinnamate
FL/FR
galangal root oleoresin
FL
2-
hydroxybenzaldehyde
FL/FR
mace oil CO2 extract
FL/FR
ortho-
methoxycinnamaldehyde
FL/FR
nutmeg absolute
FL/FR
nutmeg oil CO2 extract
FL/FR
3-
phenyl propyl alcohol
FL/FR
3-
phenyl propyl cinnamate
FL/FR
spicy acetoacetate
FL/FR
annus
wormwood oil vietnam
FL/FR
vanilla
vanillyl acetate
FL/FR
waxy
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
woody
beta-
ionone
FL/FR
orris rhizome oil CO2 extract
FL/FR
patchouli oil
FL/FR
patchouli oil molecular distilled
FL/FR
 
Potential Uses:
FRbalsam
 coffee
FRfloral
FRhyacinth
 spicy
 
Occurrence (nature, food, other):note
 beef cooked beef
Search PMC Picture
 coffee
Search PMC Picture
 krill
Search PMC Picture
 pork liver
Search PMC Picture
 
Synonyms:
2-acetyl-5-methylthiophene
 ethanone, 1-(5-methyl-2-thienyl)-
 ketone, methyl 5-methyl-2-thienyl
 methyl 5-methyl-2-thienyl ketone
5-methyl-2-acetyl thiophene
5-methyl-2-acetylthiophene
1-(5-methyl-2-thienyl) ethan-1-one
(5-methyl-2-thienyl) ethanone
1-(5-methyl-2-thienyl)ethan-1-one
(5-methyl-2-thienyl)ethanone
1-(5-methyl-2-thienyl)ethanone
1-(5-methyl-2-thiophenyl)ethanone
1-(5-methyl-thiophen-2-yl)-ethanone
1-(5-methylthien-2-yl)ethanone
1-(5-methylthiophen-2-yl)ethanone
 thiophene, 2-acetyl-5-methyl-
 
 
Notes:
Organoleptic. Constit. of coffee aroma.
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