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

5-mercapto-5-methyl-3-hexanone
sauvignone 100 (Takasago)

Supplier Sponsors

CAS Number: 851768-51-9Picture of molecule3D/inchi
XlogP3-AA:1.30 (est)
Molecular Weight:146.25278000
Formula:C7 H14 O S
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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
FEMA Number:4769 5-mercapto-5-methyl-3-hexanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 198.78 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.353000 mm/Hg @ 25.00 °C. (est)
Flash Point: 165.00 °F. TCC ( 74.00 °C. ) (est)
logP (o/w): 1.764 (est)
Soluble in:
 alcohol
 water, 3651 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: citrus
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
Substantivity: > 4 hour(s) at 100.00 %
citrus grape fruity watery tropical earthy dewy
Odor Description:at 0.10 % in propylene glycol. citrus grape fruity watery tropical
Odor and/or flavor descriptions from others (if found).
Takasago
Sauvignone 100
Odor Description:Sparkling Citrus, Grape
Very effective in air care and watery applications where traces already provide interesting effects, obviously in fruity notes.
Pell Wall Perfumes
Sauvignone 100 at 1%
Odor Description:Fresh, diffusive, earthy, dewy, fruity-grape. Powerful
Can be used in perfumes only in the barest traces to add realism to gourmand, fruity and green fragrance types, especially where a tropical effect is desired.
Pell Wall Perfumes
Sauvignone 100
Odor Description:Fresh, diffusive, earthy, dewy, fruity-grape. Powerful
Can be used in perfumes only in the barest traces to add realism to gourmand, fruity and green fragrance types, especially where a tropical effect is desired.
 
Cosmetic Information:
None found
 
Suppliers:
Pell Wall Perfumes
Sauvignone 100 at 1%
Odor: Fresh, diffusive, earthy, dewy, fruity-grape. Powerful
Use: Can be used in perfumes only in the barest traces to add realism to gourmand, fruity and green fragrance types, especially where a tropical effect is desired.
Pell Wall Perfumes
Sauvignone 100 at 10%
Odor: Fresh, diffusive, earthy, dewy, fruity-grape. Powerful
Use: Can be used in perfumes only in the barest traces to add realism to gourmand, fruity and green fragrance types, especially where a tropical effect is desired.
Pell Wall Perfumes
Sauvignone 100
Odor: Fresh, diffusive, earthy, dewy, fruity-grape. Powerful
Use: Can be used in perfumes only in the barest traces to add realism to gourmand, fruity and green fragrance types, especially where a tropical effect is desired.
Perfumer Supply House
Sauvignone 100 (Takasago)
Odor: natural, powerful and very diffusive earthy green odor reminiscent of fresh soil and morning dew
Takasago
Sauvignone 100
Odor: Sparkling Citrus, Grape
Use: Very effective in air care and watery applications where traces already provide interesting effects, obviously in fruity notes.
The Fragrance Museum
 
Safety Information:
 
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: flavor and fragrance agents
 
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: 26
 average usual ppmaverage maximum ppm
baked goods: 2.500005.00000
beverages(nonalcoholic): 0.100000.50000
beverages(alcoholic): 0.300002.50000
breakfast cereal: 0.100000.30000
cheese: 0.300000.50000
chewing gum: 5.0000010.00000
condiments / relishes: 0.300000.50000
confectionery froastings: 0.300002.50000
egg products: 0.300000.50000
fats / oils: --
fish products: 0.300000.50000
frozen dairy: 1.0000010.00000
fruit ices: 0.500005.00000
gelatins / puddings: 0.300002.50000
granulated sugar: --
gravies: 0.100001.00000
hard candy: 0.500002.50000
imitation dairy: --
instant coffee / tea: 0.100001.00000
jams / jellies: 0.500002.50000
meat products: 0.300000.50000
milk products: 0.100000.50000
nut products: --
other grains: --
poultry: 0.300000.50000
processed fruits: --
processed vegetables: 0.300000.50000
reconstituted vegetables: --
seasonings / flavors: 0.300000.50000
snack foods: 0.300000.50000
soft candy: 0.500002.50000
soups: 0.300000.50000
sugar substitutes: --
sweet sauces: 0.300000.50000
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11332546
National Institute of Allergy and Infectious Diseases:Data
5-methyl-5-sulfanylhexan-3-one
Chemidplus:0851768519
 
References:
 5-methyl-5-sulfanylhexan-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11332546
Pubchem (sid):44373836
 
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
HMDB (The Human Metabolome Database):Search
ChemSpider:View
 
Potential Blenders and core components note
For Odor
ethereal
2-
methyl valeraldehyde
FL/FR
floral
ethyl anthranilate
FL/FR
methoxymelonal
FL/FR
petitgrain mandarin oil
FL/FR
fruity
butyl anthranilate
FL/FR
iso
butyl anthranilate
FL/FR
cyclohexyl anthranilate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
grape butyrate
FL/FR
(Z)-3-
hexen-1-yl anthranilate
FL/FR
methyl anthranilate
FL/FR
styralyl butyrate
FL/FR
green
(E)-2-
octen-1-yl acetate
FL/FR
sulfurous
ethyl 3-mercaptopropionate
FL/FR
For Flavor
No flavor group found for these
ethyl 3-mercaptopropionate
FL/FR
citrus
citrus
petitgrain mandarin oil
FL/FR
floral
(Z)-3-
hexen-1-yl anthranilate
FL/FR
fruity
iso
butyl anthranilate
FL/FR
butyl anthranilate
FL/FR
cyclohexyl anthranilate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl anthranilate
FL/FR
furfuryl butyrate
FL
methoxymelonal
FL/FR
methyl anthranilate
FL/FR
styralyl butyrate
FL/FR
green
grape butyrate
FL/FR
(E)-2-
octen-1-yl acetate
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
3-hexanone, 5-mercapto-5-methyl-
5-methyl-5-sulfanyl-3-hexanone
5-methyl-5-sulfanylhexan-3-one
 sauvignone 100 (Takasago)
 

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