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

buchu mercaptan acetate
menthone thioacetate

Sponsors

Name:O-[2-[(1S)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate
CAS Number: 94293-57-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:304-949-4
FDA UNII:6769OB3Z4X
XlogP3-AA:2.50 (est)
Molecular Weight:228.35480000
Formula:C12 H20 O2 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:506 menthone-8-thioacetate
FLAVIS Number:12.201 (Old)
DG SANTE Food Flavourings:12.201 8-acetylthio-p-menthan-3-one
FEMA Number:3809 menthone thioacetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: MENTHONE-8-THIOACETATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 85.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.04300 to 1.05300 @ 20.00 °C.
Pounds per Gallon - (est).: 8.689 to 8.772
Refractive Index:1.49700 to 1.50600 @ 20.00 °C.
Boiling Point: 305.00 to 306.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 281.00 °F. TCC ( 138.33 °C. )
logP (o/w): 2.461 (est)
Soluble in:
 alcohol
 water, 392.2 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
currant bud black currant bud catty fruity herbal
Odor Description:at 0.10 % in dipropylene glycol. black currant catty fruity herbal
Flavor Type: fruity
fruity herbal tropical
Taste Description: fruity herbal tropical
Odor and/or flavor descriptions from others (if found).
Treatt
P-Mentha-3-One-8-thioacetate Halal, Kosher
Odor Description:Buchu, green, and blackcurrant leaf
Taste Description:buchu
Used in blackcurrant, grape, and berry flavours; in desserts at up to 6ppm, bakery and soft confections at 1-2ppm, and in beverages at 0.2ppm to 0.4ppm
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Ethanethioic acid,S-[1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] 95%
Charkit Chemical
ACETYLTHIO)MENTHONE, 8-( A01278 FEMA 3809
Penta International
P-MENTH-3-ONE-8-THIOACETATE, Kosher
Synerzine
p-Mentha-8-thiol-3-one Acetate
Taytonn
8-(Acetylthio) Menthone
Odor: Catty, Fruity, Herbal/ Herbaceous
Treatt
P-Mentha-3-One-8-thioacetate
Halal, Kosher
Odor: Buchu, green, and blackcurrant leaf
Flavor: buchu
Used in blackcurrant, grape, and berry flavours; in desserts at up to 6ppm, bakery and soft confections at 1-2ppm, and in beverages at 0.2ppm to 0.4ppm
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36 - Irritating to eyes.
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 37/39 - Wear suitable gloves and eye/face protection.
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for buchu mercaptan acetate usage levels up to:
  0.5000 % in the fragrance concentrate.
 
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: 17
 average usual ppmaverage maximum ppm
baked goods: 1.0000010.00000
beverages(nonalcoholic): 0.100000.30000
beverages(alcoholic): 0.200005.00000
breakfast cereal: 0.500005.00000
cheese: 0.500005.00000
chewing gum: 5.0000020.00000
condiments / relishes: --
confectionery froastings: 1.0000010.00000
egg products: --
fats / oils: 3.0000040.00000
fish products: --
frozen dairy: 0.2000010.00000
fruit ices: 0.2000010.00000
gelatins / puddings: 0.500005.00000
granulated sugar: --
gravies: --
hard candy: 1.0000010.00000
imitation dairy: 0.2000010.00000
instant coffee / tea: --
jams / jellies: 0.5000010.00000
meat products: --
milk products: 0.2000010.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: 0.100002.00000
reconstituted vegetables: 0.100002.00000
seasonings / flavors: --
snack foods: --
soft candy: 1.0000010.00000
soups: --
sugar substitutes: --
sweet sauces: 0.200005.00000
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :175606
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
O-[2-[(1S)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate
Chemidplus:0094293579
 
References:
 O-[2-[(1S)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):175606
Pubchem (sid):135153482
 
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):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Menthone-8-thioacetate
 
Potential Blenders and core components note
For Odor
anisic
amyl furoate
FL/FR
balsamic
siam
benzoin absolute
FL/FR
caramellic
diethyl malate
FL/FR
citrus
(Z)-4-
decenal
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
floral
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
benzyl acetone
FL/FR
butyl tiglate
FR
cassis buteneone
FR
cassis cyclohexene
FR
citronellyl isovalerate
FL/FR
black
currant bud concrete
FL/FR
delta-
damascone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geranyl tiglate
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
menthadienyl formate
FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
nonan-3-yl acetate
FL/FR
3-
nonanone
FL/FR
rose undecene
FR
fruity
para-
anisyl propionate
FL/FR
artemisia pallens herb oil
FL/FR
balsam specialty
FR
(Z)-beta-
damascone
FL/FR
para-
menth-1-ene-9-ol
FL/FR
2-
methyl butyl isovalerate
FL/FR
green
butyl heptanoate
FL/FR
iso
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
dicyclopentadiene propionate
FR
herbal cyclohexane
FR
hexyl tiglate
FL/FR
magnolia flower oil CO2 extract
FL/FR
thiogeraniol
FL/FR
herbal
iso
amyl heptanoate
FL/FR
artemisia ludoviciana oil
FR
butyl levulinate
FL/FR
chamomile propionate
FR
chamomile valerate
FR
cuminyl acetate
FL/FR
dimethyl benzyl carbinyl crotonate
FL/FR
juniper carboxaldehyde
FR
linalyl formate
FL/FR
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
methyl hexyl ether
FL/FR
methyl ortho-anisate
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
myrtle oil
FL/FR
3-
octanon-1-ol
FL/FR
rue oil
FL/FR
rue oil cuba
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil egypt
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
tagete oil turkey
FL/FR
tagete oil zambia
FL/FR
tricyclodecenyl isobutyrate
FR
tricyclodecenyl propionate
FR
viridiflorol
FL/FR
minty
diosphenol
FL/FR
orris
orris capronate
FL/FR
sulfurous
4-
methoxy-2-methyl butane thiol
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
passiflora acetate
FL/FR
tonka
(±)-
dihydromint lactone
FL/FR
woody
2-
decalinyl acetate
FR
patchouli absolute
FR
For Flavor
No flavor group found for these
iso
amyl angelate
FL/FR
amyl furoate
FL/FR
para-
anisyl propionate
FL/FR
benzyl methyl tiglate
FL
iso
butyl heptanoate
FL/FR
citronellyl isovalerate
FL/FR
cuminyl acetate
FL/FR
diethyl malate
FL/FR
(±)-(cis+trans)-1,2-
dihydroperillaldehyde
FL
dimethyl benzyl carbinyl crotonate
FL/FR
diosphenol
FL/FR
ethyl 4-pentenoate
FL/FR
linalyl formate
FL/FR
magnolia flower oil CO2 extract
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
methyl ortho-anisate
FL/FR
nonan-3-yl acetate
FL/FR
3-
octanon-1-ol
FL/FR
viridiflorol
FL/FR
althaea officinalis root tincture
FL
acidic
acidic
(E)-2-
hexenoic acid
FL
citrus
(Z)-4-
decenal
FL/FR
creamy
althaea officinalis root extract
FL
ethereal
methyl hexyl ether
FL/FR
floral
dimethyl benzyl carbinyl butyrate
FL/FR
geranyl tiglate
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
fruity
artemisia pallens herb oil
FL/FR
benzyl acetone
FL/FR
butyl heptanoate
FL/FR
black
currant bud concrete
FL/FR
(Z)-beta-
damascone
FL/FR
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
2-
methyl butyl isovalerate
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
tagete oil turkey
FL/FR
tagete oil zambia
FL/FR
green
iso
butyl methyl ketone
FL/FR
hexyl tiglate
FL/FR
3-
nonanone
FL/FR
herbal
iso
amyl heptanoate
FL/FR
butyl levulinate
FL/FR
ilex paraguariensis leaf extract
FL
para-
menth-1-ene-9-ol
FL/FR
rue oil
FL/FR
rue oil cuba
FL/FR
tagete oil egypt
FL/FR
herbal-tropical
tea flavor
FL
lactonic
(±)-
dihydromint lactone
FL/FR
minty
thiogeraniol
FL/FR
orris
orris capronate
FL/FR
spicy
siam
benzoin absolute
FL/FR
myrtle oil
FL/FR
sulfurous
4-
methoxy-2-methyl butane thiol
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
passiflora acetate
FL/FR
woody
delta-
damascone
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
 
Potential Uses:
FLbakery
 berry
 confection
FLcurrant black currant
 fruit
 fruit tropical fruit
 grape
 
Occurrence (nature, food, other):note
 buchu leaf oil
Search Trop Picture
 
Synonyms:
2-(1-acetyl thio-1-methyl ethyl)-5-methyl cyclohexanone
8-acetyl thio-para-menthan-3-one
2-(1-acetylthio-1-methylethyl)-5-methylcyclohexanone
8-acetylthio-p-menthan-3-one
8-(acetylthio)menthone
 ethanethioic acid S-(1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl) ester
p-menth-3-one-8-thioacetate
para-mentha-8-thioacetate-3-one
p-mentha-8-thiol-3-one acetate
3-oxo-p-menthan-8-thiyl acetate
3-oxo-para-menthan-8-thiyl acetate
3-oxo-p-menthane-8-thiyl acetate
3-oxo-para-menthane-8-thiyl acetate
 menthon-8-thioacetate
 menthone thioacetate
 menthone-8-thioacetate
(1-methyl-1-(4-methyl-2-oxocyclohexyl)ethyl) ethane thioate
O-[2-[(1S)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate
 sulfox acetate
 

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