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

methyl octyl sulfide
1-methylsulfanyloctane

Supplier Sponsors

Name:1-methylsulfanyloctane
CAS Number: 3698-95-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:223-029-2
FDA UNII:L68L019D9G
Nikkaji Web:J60.722C
MDL:MFCD00039990
XlogP3:4.80 (est)
Molecular Weight:160.32340000
Formula:C9 H20 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:1909 methyl octyl sulfide
FEMA Number:4573 methyl octyl sulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):3698-95-1 ; METHYL OCTYL SULFIDE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84000 to 0.86000 @ 20.00 °C.
Pounds per Gallon - (est).: 6.998 to 7.164
Refractive Index:1.44500 to 1.46500 @ 20.00 °C.
Boiling Point: 217.00 to 219.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.194000 mmHg @ 25.00 °C. (est)
Flash Point: 192.00 °F. TCC ( 88.89 °C. )
logP (o/w): 4.544 (est)
Soluble in:
 alcohol
 water, 12.98 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: earthy
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
earthy potato baked potato peanut roasted peanut
Odor Description:at 0.10 % in propylene glycol. earthy baked potato roasted peanut
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Octane, 1-(methylthio)-
BOC Sciences
For experimental / research use only.
METHYL N-OCTYL SULFIDE 95%
Inoue Perfumery
METHYL OCTYL THIO ETHER
Penta International
METHYL-n-OCTYL SULFIDE
R C Treatt & Co Ltd
Methyl octane thioether
Kosher
Santa Cruz Biotechnology
For experimental / research use only.
Methyl n-Octyl Sulfide
TCI AMERICA
For experimental / research use only.
Methyl n-Octyl Sulfide >96.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Methyl Octyl Sulfide
 
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: flavoring agents
Recommendation for methyl octyl sulfide 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: 1.000006.00000
beverages(nonalcoholic): 0.200002.00000
beverages(alcoholic): 0.200002.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.100005.00000
confectionery froastings: --
egg products: --
fats / oils: 0.500001.50000
fish products: 1.000005.00000
frozen dairy: 0.200002.00000
fruit ices: --
gelatins / puddings: 0.100001.00000
granulated sugar: --
gravies: 0.100001.00000
hard candy: --
imitation dairy: 0.010000.10000
instant coffee / tea: --
jams / jellies: --
meat products: 4.0000040.00000
milk products: --
nut products: --
other grains: 1.000005.00000
poultry: --
processed fruits: --
processed vegetables: 1.000005.00000
reconstituted vegetables: --
seasonings / flavors: 1.0000080.00000
snack foods: --
soft candy: 0.200002.00000
soups: 1.0000080.00000
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :77289
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-methylsulfanyloctane
Chemidplus:0003698951
 
References:
 1-methylsulfanyloctane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):77289
Pubchem (sid):135035983
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Methyl octyl sulfide
 
Potential Blenders and core components note
For Odor
earthy
nutty pyrazine
FL/FR
nutty
2,3,5-
trimethyl pyrazine
FL/FR
For Flavor
milky
dextro,laevo-3-(
methyl thio) butanone
FL
musty
2,3,5-
trimethyl pyrazine
FL/FR
nutty
nutty pyrazine
FL/FR
sulfurous
potato butanone
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 beef cooked beef
Search PMC Picture
 
Synonyms:
 methyl N-octyl sulfide
 methyl octyl thio ether
1-(methyl sulfanyl) octane
1-(methyl thio) octane
 methyl-N-octyl sulfide
1-(methylsulfanyl)octane
1-methylsulfanyloctane
1-(methylthio)-octane
1-(methylthio)octane
 octane, 1-(methylthio)-
2-thiadecane
 

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