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1,9-nonane dithiol
1,9-nonanedithiol

Supplier Sponsors

Name:nonane-1,9-dithiol
CAS Number: 3489-28-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:222-482-0
FDA UNII:5BPJ1XQE3T
Nikkaji Web:J216.152D
MDL:MFCD00004914
CoE Number:11558
XlogP3-AA:3.90 (est)
Molecular Weight:192.38840000
Formula:C9 H20 S2
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
PubMed:Search
NCBI:Search
JECFA Food Flavoring:542 1,9-nonanedithiol
FLAVIS Number:12.069 (Old)
DG SANTE Food Flavourings:12.069 nonane-1,9-dithiol
FEMA Number:3513 1,9-nonanedithiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 1,9-NONANEDITHIOL
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.95200 to 0.95700 @ 25.00 °C.
Pounds per Gallon - (est).: 7.922 to 7.963
Refractive Index:1.49990 to 1.50990 @ 20.00 °C.
Boiling Point: 116.00 °C. @ 0.10 mm Hg
Boiling Point: 351.00 to 352.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.007000 mm/Hg @ 25.00 °C. (est)
Vapor Density:6.6 ( Air = 1 )
Flash Point: 215.00 °F. TCC ( 101.67 °C. )
logP (o/w): 4.723 (est)
Soluble in:
 alcohol
 oils
 water, 5.124 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous meaty savory fatty lamb
Odor Description:at 0.10 % in propylene glycol. sulfur meaty savory fatty lamb
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1,9-dinonyl mercaptan
Charkit Chemical
NONANEDITHIOL, 1,9- N0050 FEMA 3513
Penta International
1,9-NONANEDITHIOL, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
1,9-Nonanedithiol
Sigma-Aldrich
1,9-Nonanedithiol, ≥95%, FG
Odor: meaty; sulfurous
Certified Food Grade Products
Synerzine
1,9-Nonanedithiol
Taytonn
1,9-Nonanedithiol
Odor: Fatty, Meaty
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and 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 1,9-nonane dithiol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Structure Class: I
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: 10
 average usual ppmaverage maximum ppm
baked goods: -0.20000
beverages(nonalcoholic): --
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: -0.20000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -0.20000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -0.20000
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):3489-28-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :248488
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
nonane-1,9-dithiol
Chemidplus:0003489289
 
References:
 nonane-1,9-dithiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:3489-28-9
Pubchem (cid):248488
Pubchem (sid):135263473
 
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):HMDB31710
FooDB:FDB008373
Export Tariff Code:2930.90.5050
Haz-Map:View
ChemSpider:View
FAO:1,9-Nonanedithiol
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
burnt
rum ether
FL/FR
coffee
coffee difuran
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
fatty
4-
ethyl octanoic acid
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
sulfuryl acetate
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
methyl pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
sulfurous
benzothiazole
FL/FR
ethyl 2-mercaptopropionate
FL/FR
ethyl 3-mercaptopropionate
FL/FR
fish thiol
FL/FR
2-
mercaptopropionic acid
FL/FR
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
3-
thiohexanol
FL/FR
tobacco
methyl benzoxole
FL/FR
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
gamma-
aminobutyric acid
FL
amyl mercaptan
FL
benzyl methyl sulfide
FL
1,2-
butane dithiol
FL
2-(2-
butyl)-4,5-dimethyl-3-thiazoline
FL
cyclopropyl (E,Z)-2,6-nonadienamide
FL
2,5-
diethyl thiazole
FL
dimethyl tetrasulfide
FL
2,6-
dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL
bis(2,5-
dimethyl-3-furyl) disulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
ethyl (E,Z)-2,6-nonadienamide
FL
S-
ethyl 2-acetyl aminoethane thioate
FL
ethyl 3-mercaptopropionate
FL/FR
ethyl 4-(acetyl thio) butyrate
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
massoia bark oil
FL
4-
mercapto-3-methyl-2-butanol
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
methyl dihydrofuran thiol
FL
2-
methyl thiazolidine
FL
2-(
methyl thio) ethanol
FL
2-
methyl-1-butane thiol
FL
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-furyl tetrasulfide
FL
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
peanut dithiazine
FL
1-
phenethyl mercaptan
FL
1,3-
propane dithiol
FL
3-iso
propenyl pentane dioic acid
FL
propyl 2-methyl-3-furyl disulfide
FL
iso
propyl disulfide
FL
thiazole
FL
3-
thienyl mercaptan
FL
N-(2-(3,4-
dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
4-
mercapto-2-pentanone 1% in acetoin
FL
2-
methyl-1-methyl thio-2-butene
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
1-(2-
thienyl) butanone
FL
alliaceous
alliaceous
1,3-
butane dithiol
FL
dimethyl trisulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
3-
tetrahydrothiophenone
FL
burnt
bacon dithiazine
FL
1,6-
hexane dithiol
FL
rum ether
FL/FR
chemical
2,5-
dimethyl furan
FL
cocoa
butyraldehyde
FL
coffee
coffee difuran
FL/FR
earthy
difurfuryl sulfide
FL
1,8-
octane dithiol
FL
eggy
iso
propyl mercaptan
FL
fatty
(E,E)-2,4-
decadienal
FL
4-
ethyl octanoic acid
FL/FR
4-
methyl nonanoic acid
FL/FR
green
4-
penten-1-yl acetate
FL
meaty
4-
allyl-2,6-dimethoxyphenol
FL
benzothiazole
FL/FR
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
furfuryl 2-methyl-3-furyl disulfide
FL
4-
furfuryl thio-2-pentanone
FL
meaty dithiane
FL/FR
(R,S)-2-
mercapto-3-butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
mercaptopropionic acid
FL/FR
2-
methyl 3-(methyl thio) furan
FL
12-
methyl tridecanal
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
propyl 2-mercaptopropionate
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
sulfuryl acetate
FL/FR
thialdine
FL
ortho-
thiocresol
FL
ortho-
thioguaiacol
FL
metallic
2,5-
dihydroxy-1,4-dithiane
FL
musty
2-
ethoxythiazole
FL
hazelnut pyrazine
FL/FR
nutty
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
methyl benzoxole
FL/FR
2-
methyl pyrazine
FL/FR
nutty thiazole
FL
onion
ethyl 2-mercaptopropionate
FL/FR
furfuryl isopropyl sulfide
FL
methionol
FL
2-
methyl-1,3-dithiolane
FL
popcorn
2-
propionyl-2-thiazoline
FL
roasted
hexyl mercaptan
FL
savory
N-(2,4-
dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL
N-(
heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
FL
N1-(2-
methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL
N1-(2-
methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
FL
sulfurous
2,3-
butane dithiol
FL
S-
ethyl thioacetate
FL
fish thiol
FL/FR
furfuryl thiopropionate
FL
methyl 2-methyl-3-furyl disulfide
FL
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
roasted butanol
FL
3-
thiohexanol
FL/FR
2,4,6-
trithiaheptane 10% in triacetin
FL
vegetable
tyramine
FL
 
Potential Uses:
FLlamb
FLmeat
FLsavory
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,9-dimercaptononane
1,9-dinonyl mercaptan
 nonamethylene dimercaptan
 nonane-1,9-dithiol
1,9-nonanedithiol
 
 
Notes:
Flavouring ingredient
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