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di-sec-butyl disulfide
2-butan-2-yldisulfanylbutane

Supplier Sponsors

Name:2-butan-2-yldisulfanylbutane
CAS Number: 5943-30-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:227-702-1
FDA UNII: P593TCY71H
Nikkaji Web:J102.652F
MDL:MFCD00009331
XlogP3-AA:3.60 (est)
Molecular Weight:178.36146000
Formula:C8 H18 S2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Name:(2R)-2-[(2R)-butan-2-yl]disulfanylbutane
CAS Number: 5943-30-6 (RR)Picture of molecule3D/inchi
FDA UNII: Search
XlogP3-AA:3.60 (est)
Molecular Weight:178.36146000
Formula:C8 H18 S2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Name:(2S)-2-[(2R)-butan-2-yl]disulfanylbutane
CAS Number: 5943-30-6 (SR)Picture of molecule3D/inchi
FDA UNII: Search
XlogP3-AA:3.60 (est)
Molecular Weight:178.36146000
Formula:C8 H18 S2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Name:(2S)-2-[(2S)-butan-2-yl]disulfanylbutane
CAS Number: 5943-30-6 (SS)Picture of molecule3D/inchi
FDA UNII: Search
XlogP3-AA:3.60 (est)
Molecular Weight:178.36146000
Formula:C8 H18 S2
NMR Predictor:Predict (works with chrome, Edge 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:1933 di-sec-butyl disulfide
FEMA Number:4578 di-sec-butyl disulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):5943-30-6 ; DI-SEC-BUTYL DISULFIDE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.94200 to 0.95400 @ 20.00 °C.
Pounds per Gallon - (est).: 7.848 to 7.947
Refractive Index:1.47700 to 1.49700 @ 20.00 °C.
Boiling Point: 218.00 to 220.00 °C. @ 760.00 mm Hg
Boiling Point: 120.00 °C. @ 12.00 mm Hg
Vapor Pressure:0.770000 mmHg @ 25.00 °C. (est)
Flash Point: 153.00 °F. TCC ( 67.22 °C. )
logP (o/w): 0.725 (est)
Soluble in:
 alcohol
 water, 5.731 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:sulfurous
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
sec-Butyl disulfide
Santa Cruz Biotechnology
For experimental / research use only.
sec-Butyl disulfide
Sigma-Aldrich: Aldrich
For experimental / research use only.
sec-Butyl disulfide technical grade, 90%
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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 36 - Wear suitable protective clothing.
 
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 di-sec-butyl disulfide 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
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 0.100000.50000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.500002.50000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.200001.00000
snack foods: 0.100000.50000
soft candy: --
soups: 0.100000.50000
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):5943-30-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :94314
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2810
WGK Germany:3
2-butan-2-yldisulfanylbutane
Chemidplus:0005943306
(2R)-2-[(2R)-butan-2-yl]disulfanylbutane
(2S)-2-[(2R)-butan-2-yl]disulfanylbutane
(2S)-2-[(2S)-butan-2-yl]disulfanylbutane
 
References:
 2-butan-2-yldisulfanylbutane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):94314
Pubchem (sid):135255900
 (2R)-2-[(2R)-butan-2-yl]disulfanylbutane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):7017230
Pubchem (sid):43613799
 (2S)-2-[(2R)-butan-2-yl]disulfanylbutane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):7458634
Pubchem (sid):39187989
 (2S)-2-[(2S)-butan-2-yl]disulfanylbutane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):7458637
Pubchem (sid):39187992
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2930.90.5050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:di-sec-Butyl disulfide
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 asafoetida
Search Trop Picture
 
Synonyms:
2-(butan-2-yldisulfanyl)butane
2-butan-2-yldisulfanylbutane
sec-butyl disulfide
bis(sec-butyl) disulfide
2-(sec-butyldisulfanyl)butane
 di-sec-butyldisulfide
 dibutan-2-yl disulfide
3,6-dimethyl-4,5-dithiaoctane
 disulfide, bis(1-methylpropyl)
 disulfide,bis(1-methylpropyl)
bis(1-methyl propyl) disulfide
 methylpropyl disulphide
bis(1-methylpropyl) disulfide
 
 
Notes:
None found
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