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

methyl propyl sulfide
2-thiapentane

Supplier Sponsors

Name:1-methylsulfanylpropane
CAS Number: 3877-15-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:223-403-5
FDA UNII:NXA8RQ27B3
Nikkaji Web:J44.106F
MDL:MFCD00015219
CoE Number:11541
XlogP3-AA:1.80 (est)
Molecular Weight:90.18870000
Formula:C4 H10 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:12.166 (Old)
DG SANTE Food Flavourings:12.166 methyl propyl sulfide
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.83400 to 0.84000 @ 25.00 °C.
Pounds per Gallon - (est).: 6.940 to 6.990
Refractive Index:1.43800 to 1.44400 @ 20.00 °C.
Melting Point:-113.00 °C. @ 760.00 mm Hg
Boiling Point: 96.00 °C. @ 760.00 mm Hg
Vapor Pressure:54.729000 mmHg @ 25.00 °C. (est)
Flash Point: 94.00 °F. TCC ( 34.44 °C. )
logP (o/w): 1.996 (est)
Soluble in:
 alcohol
 water, 2957 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: alliaceous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
alliaceous creamy green leek
Odor Description:at 0.10 % in propylene glycol. alliaceous creamy green leek
Odor and/or flavor descriptions from others (if found).
Taytonn
Methyl Propyl Sulphide
Odor Description:Alliaceous, Green, Creamy, Leek
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
Methyl propyl sulfide
BOC Sciences
For experimental / research use only.
Methyl Propyl Sulfide
DeLong Chemicals America
Methyl propyl sulfide, Kosher
Endeavour Specialty Chemicals
Methyl n-propyl sulphide 99% F&F
Speciality Chemical Product Groups
Penta International
METHYL PROPYL SULFIDE
R C Treatt & Co Ltd
Methyl n-propyl sulphide
Riverside Aromatics
METHYL PROPYL SULPHIDE, NATURAL
Robinson Brothers
Methyl n-propyl sulphide F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
Methyl n-propyl sulfide
Taytonn
Methyl Propyl Sulphide
Odor: Alliaceous, Green, Creamy, Leek
TCI AMERICA
For experimental / research use only.
Methyl Propyl Sulfide >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Methyl Propyl Sulfide
WholeChem
Methyl propyl sulfide
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 methyl propyl 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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :19754
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
1-methylsulfanylpropane
Chemidplus:0003877154
 
References:
 1-methylsulfanylpropane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):19754
Pubchem (sid):134984282
 
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
FooDB:FDB020354
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
earthy
1-
nonen-3-ol
FL/FR
waxy
2-
nonanol
FL/FR
For Flavor
No flavor group found for these
allyl methyl trisulfide
FL
2-
ethyl-4,5-dimethyl oxazole
FL
earthy
earthy
1-
nonen-3-ol
FL/FR
waxy
2-
nonanol
FL/FR
octyl 2-furoate
FL
 
Potential Uses:
FLfruit tropical fruit
FLgarlic
FLonion
 
Occurrence (nature, food, other):note
 guinea hen - 0.001 mg/kg
Search PMC Picture
 kohlrabi - 0.08 mg/kg
Search Trop Picture
 kohlrabi stem
Search Trop Picture
 
Synonyms:
 methyl N-propyl sulfide
 methyl N-propyl sulphide
 methyl propyl sulphide
1-(methyl thio) propane
1-(methylsulfanyl)propane
1-methylsulfanylpropane
1-(methylthio)propane
 propane, 1-(methylthio)-
N-propylmethylsulfide
 sulfide, methyl propyl
2-thiapentane
 

Articles:

PubMed:Product ion distributions for the reactions of NO(+) with some physiologically significant volatile organosulfur and organoselenium compounds obtained using a selective reagent ionization time-of-flight mass spectrometer.
PubMed:In vitro screening of pentamidine analogs against bacterial and fungal strains.
PubMed:Blood and breath profiles of volatile organic compounds in patients with end-stage renal disease.
PubMed:A Dynamic Electrode for the Estimation of Praseodymium(III) using 1,5-Bis-(o-aminophenol)-3-thiapentane as an Ionophore.
PubMed:Synthesis and oxidation of some azole-containing thioethers.
PubMed:Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. IV. Pairs of different hydrophobic side chains.
PubMed:Ruminal fermentation of propylene glycol and glycerol.
PubMed:Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. 3. Calculation and parameterization of the potentials of mean force of pairs of identical hydrophobic side chains.
PubMed:Relative stability of mixed [3 + 1] Tc and Re complexes: a computational and conceptual DFT study.
PubMed:Pentamethylcyclopentadienyl ruthenium(III) vs hexamethylbenzene ruthenium(II) in sulfur-centered reactivity of their thioether-thiolate and allied complexes.
PubMed:Synthesis and investigation of antimicrobial activity of some bisbenzimidazole-derived chelating agents.
PubMed:Assessment of the in vitro and in vivo properties of a (99m)Tc-labeled inhibitor of the multidrug resistant gene product P-glycoprotein.
PubMed:Plant-natural enemy association in tritrophic system,Cotesia rubecula-Pieris rapae-brassicaceae (Cruciferae). III: Collection and identification of plant and frass volatiles.
PubMed:Models for enzyme-copper-nucleic acid interaction. 1H NMR line broadening study of the interaction of some copper complexes with cytidine.
PubMed:Some volatile constituents of female dog urine.
 
Notes:
None found
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