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

methyl butyl sulfide
2-thiahexane

Supplier Sponsors

CAS Number: 628-29-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-034-2
FDA UNII:2N5IMB9XAP
Nikkaji Web:J44.104J
MDL:MFCD00015256
XlogP3-AA:2.10 (est)
Molecular Weight:104.21564000
Formula:C5 H12 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
FLAVIS Number:12.152 (Old)
DG SANTE Food Flavourings:12.152 methyl butyl sulfide
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.83900 to 0.84500 @ 25.00 °C.
Pounds per Gallon - (est).: 6.981 to 7.031
Refractive Index:1.44200 to 1.44800 @ 20.00 °C.
Boiling Point: 123.00 °C. @ 760.00 mm Hg
Vapor Pressure:16.629000 mm/Hg @ 25.00 °C. (est)
Flash Point: 69.00 °F. TCC ( 20.56 °C. )
logP (o/w): 2.506 (est)
Soluble in:
 alcohol
 water, 1028 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.01 % solution or less
sulfurous garlic onion vegetable
Odor Description:at 0.01 % in propylene glycol. sulfurous garlic onion vegetable
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Butyl Methyl Sulfide
Endeavour Specialty Chemicals
n-Butyl methyl sulphide 99% F&F
Speciality Chemical Product Groups
R C Treatt & Co Ltd
n-Butyl methyl sulphide
Robinson Brothers
n-Butyl methyl sulphide F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
Methyl Butyl Sulfide ≥98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Butyl Methyl Sulfide
TCI AMERICA
For experimental / research use only.
Butyl Methyl Sulfide >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Methyl Butyl Sulfide
 
Safety Information:
Preferred SDS: View
 
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 butyl sulfide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0024 (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
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
EPA Substance Registry Services (TSCA):628-29-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12339
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
1-methylsulfanylbutane
Chemidplus:0000628295
 
References:
 1-methylsulfanylbutane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12339
Pubchem (sid):134975826
 
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
Export Tariff Code:2930.20.9050
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alliaceous
methyl furfuryl disulfide
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
ferula assa-foetida absolute
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
2-(
methyl thio) phenol
FL/FR
onion oil
FL/FR
4-
tropical oxathiane
FL/FR
For Flavor
No flavor group found for these
allyl methyl trisulfide
FL
allyl propyl disulfide
FL
allyl propyl trisulfide
FL
diethyl trisulfide
FL
dimethyl tetrasulfide
FL
dipropyl sulfide
FL
2-
heptane thiol
FL
4-(
methyl thio) butanol
FL
alliaceous
alliaceous
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
cyclopentyl mercaptan
FL
2-
methyl thioacetaldehyde
FL
coffee
methyl furfuryl disulfide
FL/FR
fruity
4-
tropical oxathiane
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
meaty
(R,S)-2-
mercapto-3-butanol
FL
2-(
methyl thio) phenol
FL/FR
ortho-
thiocresol
FL
musty
2-
methyl 5-(methyl thio) furan
FL/FR
onion
methyl propyl trisulfide
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl 4-(methyl thio) butyrate
FL
onion oil
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 beer - 0.001 mg/kg
Search PMC Picture
 
Synonyms:
 butane, 1-(methylthio)-
 butyl methyl sulfide
N-butyl methyl sulfide
 butyl methyl sulphide
 butylmethyl sulfide
 methyl butyl sulphide
 methyl N-butyl sulfide
1-(methyl thio) butane
1-methyl thiobutane
 methylbutyl sulfide
1-(methylsulfanyl)butane
1-methylsulfanylbutane
1-(methylthio)butane
 methylthiobutane
1-methylthiobutane
 sulfide, butyl methyl
2-thiahexane
 

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Notes:
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