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

butyl disulfide
dibutyl disulfide

Supplier Sponsors

Name:1-butyldisulfanylbutane
CAS Number: 629-45-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-091-3
FDA UNII: Z77EF35C0Q
Nikkaji Web:J43.516C
Beilstein Number:1735184
MDL:MFCD00009467
XlogP3-AA:3.40 (est)
Molecular Weight:178.36146000
Formula:C8 H18 S2
BioActivity Summary:listing
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
DG SANTE Food Flavourings:12.111 dibutyl disulfide
 
Physical Properties:
Appearance:pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.93400 to 0.94000 @ 25.00 °C.
Pounds per Gallon - (est).: 7.772 to 7.822
Refractive Index:1.48800 to 1.49400 @ 20.00 °C.
Boiling Point: 229.00 to 233.00 °C. @ 760.00 mm Hg
Vapor Pressure:52.000000 mmHg @ 38.00 °C.
Vapor Density:6.16 ( Air = 1 )
Flash Point: 199.00 °F. TCC ( 92.78 °C. )
logP (o/w): 5.207 (est)
Soluble in:
 alcohol
 water, 4.292 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
sulfurous
Odor Description:sulfurous
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Butyl Disulfide
EMD Millipore
For experimental / research use only.
Dibutyl disulfide
sds
Jinan Enlighten Chemical Technology(Wutong Aroma )
Dibutyl disulfide
Penta International
DIBUTYL DISULFIDE
Santa Cruz Biotechnology
For experimental / research use only.
Dibutyl disulfide
Sigma-Aldrich: Aldrich
For experimental / research use only.
Dibutyl disulfide 97%
sds
TCI AMERICA
For experimental / research use only.
Dibutyl Disulfide >95.0%(GC)
sds
Tengzhou Jitian Aroma Chemiclal
Dibutyl Disulfide
Tianjin Danjun International
n-Butyl disulfide
 
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 23 - Do not breath vapour.
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 36/37/39 - Wear suitable clothing, 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 butyl disulfide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.37 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 78 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.200001.00000
Processed fruit (04.1): 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.200001.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.100000.50000
Bakery wares (07.0): 0.200001.00000
Meat and meat products, including poultry and game (08.0): 0.100000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.20000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.100000.30000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.200001.00000
Ready-to-eat savouries (15.0): 0.400002.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.50000
 
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 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
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

Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): 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

Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):629-45-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12386
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-butyldisulfanylbutane
Chemidplus:0000629458
 
References:
 1-butyldisulfanylbutane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12386
Pubchem (sid):134976409
 
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
HMDB (The Human Metabolome Database):HMDB29569
FooDB:FDB000724
Export Tariff Code:2930.90.5050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alliaceous
garlic oil mexico
FL/FR
For Flavor
No flavor group found for these
methyl propyl sulfide
FL
thiophene
FL
alliaceous
alliaceous
allium porrum extract
FL
garlic oil mexico
FL/FR
leek oil
FL
onion oil extenders
FL
savory
2,4,6-
triethyl tetrahydro-1,3,5-dithiazine
FL
 
Potential Uses:
FLgarlic
FLonion
 
Occurrence (nature, food, other):note
 asafoetida oil
Search Trop Picture
 
Synonyms:
N-butyl disulfide
1-(butyldisulfanyl)butan
1-(butyldisulfanyl)butane
1-butyldisulfanylbutane
 dibutyl disulfide
 dibutyl disulphide
 disulfide, dibutyl
5,6-dithiadecane
 

Articles:

PubMed:Cysteine sulfoxides and volatile sulfur compounds from Allium tripedale.
PubMed:From Molecules to Surfaces: Radical-Based Mechanisms of Si-S and Si-Se Bond Formation on Silicon.
PubMed:Enantioselective oxidation of di-tert-butyl disulfide with a vanadium catalyst: progress toward mechanism elucidation.
PubMed:Heinz body production and hematological changes in the hen after administration of a single oral dose of n-butyl mercaptan and n-butyl disulfide.
PubMed:Chemical composition, antioxidant and antimicrobial activities of essential oil obtained from Ferula assa-foetida oleo-gum-resin: effect of collection time.
PubMed:Essential oil composition analysis of three cultivars seeds of Resina ferulae from Xinjiang, China.
PubMed:Rhodium-catalyzed disulfide exchange reaction.
PubMed:Reductive metalation of cyclic and acyclic pseudopeptidic bis-disulfides and back conversion of the resulting diamidato/dithiolato complexes to bis-disulfides.
PubMed:Preparation of DNA and RNA fragments containing guanine N(2)-thioalkyl tethers.
PubMed:Polysulfide derivatives from Ferula foetida.
PubMed:Hydrolysis of terbufos using simulated environmental conditions: rates, mechanisms, and product analysis.
PubMed:Rhodium-catalyzed regio- and stereoselective 1-seleno-2-thiolation of 1-alkynes.
PubMed:Synthesis of guanosine and deoxyguanosine phosphoramidites with cross-linkable thioalkyl tethers for direct incorporation into RNA and DNA.
PubMed:Synthesis of S-linked alpha(2-->9) octasialic acid via exclusive alpha S-glycosidic bond formation.
PubMed:Computational rationalization of the dependence of the enantioselectivity on the nature of the catalyst in the vanadium-catalyzed oxidation of sulfides by hydrogen peroxide.
PubMed:Density functional study on the mechanism of the vanadium-catalyzed oxidation of sulfides by hydrogen peroxide.
PubMed:Direct observation of thiolate displacement reactions on Au(111): the role of physisorbed disulfides.
PubMed:Aerobic and anaerobic degradation of a range of alkyl sulfides by a denitrifying marine bacterium.
PubMed:Temperature dependence of the disulfide perturbation to the triplet state of tryptophan.
PubMed:Oxidation of sulfides and disulfides under electron transfer or singlet oxygen photosensitization using soluble or grafted sensitizers.
PubMed:Enantioselective synthesis of tert-butyl tert-butanethiosulfinate catalyzed by cyclohexanone monooxygenase.
PubMed:Effects of thiamine antagonists on nerve conduction. I. Actions of antimetabolites and fern extract on propagated action potentials.
PubMed:Mechanism of thiolate-disulfide interchange reactions in biochemistry.
PubMed:Nucleophilic reactions of phorate and terbufos with reduced sulfur species under anoxic conditions.
PubMed:Improved synthesis of tert-butanesulfinamide suitable for large-scale production.
PubMed:Induction of histone acetylation in mouse erythroleukemia cells by some organosulfur compounds including allyl isothiocyanate.
PubMed:New components in defensive secretion of the striped skunk,Mephitis mephitis.
PubMed:Effects of thiamine antagonists on nerve conduction. II. Voltage clamp experiments with antimetabolites.
 
Notes:
oxidation product of butyl mercaptan. Constit. of Ferula assa-foetida (asafoetida)
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