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

3-ethyl thiopropanol
3-(ethylthio)propan-1-ol

Supplier Sponsors

Name:3-ethylsulfanylpropan-1-ol
CAS Number: 18721-61-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:242-534-9
Nikkaji Web:J222.284A
XlogP3-AA:0.90 (est)
Molecular Weight:120.21484000
Formula:C5 H12 O S
BioActivity Summary:listing
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:12.129 (Old)
DG SANTE Food Flavourings:12.129 3-(ethylthio)propan-1-ol
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.98900 to 0.99500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.229 to 8.279
Refractive Index:1.48000 to 1.48600 @ 20.00 °C.
Boiling Point: 173.00 to 175.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.394000 mmHg @ 25.00 °C. (est)
Flash Point: 185.00 °F. TCC ( 85.00 °C. )
logP (o/w): 0.927 (est)
Soluble in:
 alcohol
 water, slightly
 water, 1.617e+004 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 vegetable potato
Odor Description:at 0.10 % in propylene glycol. sulfurous vegetable potato
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-(Ethylthio)propanol
Endeavour Specialty Chemicals
3-(Ethylthio)propanol 98% F&F
Speciality Chemical Product Groups
R C Treatt & Co Ltd
3-Ethylthiopropanol
Robinson Brothers
3-(Ethylthio)propanol F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
3-(Ethylthio)propanol
Synerzine
3-Ethylthiopropanol
 
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 3-ethyl thiopropanol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 190 (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): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 0.400002.00000
Meat and meat products, including poultry and game (08.0): 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.40000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000005.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
 
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 :87762
National Institute of Allergy and Infectious Diseases:Data
3-ethylsulfanylpropan-1-ol
Chemidplus:0018721614
 
References:
 3-ethylsulfanylpropan-1-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:18721-61-4
Pubchem (cid):87762
Pubchem (sid):135043849
 
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
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
moldy
strawberry furanone methyl ether
FL/FR
sulfurous
dimethyl disulfide
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
For Flavor
No flavor group found for these
diisopropyl sulfide
FL
S-
methyl benzothioate
FL
3-
methyl mercaptopropyl amine
FL
alliaceous
alliaceous
2-
methyl thioacetaldehyde
FL
green
horseradish oil
FL
moldy
strawberry furanone methyl ether
FL/FR
sulfurous
dimethyl disulfide
FL/FR
furfuryl methyl sulfide
FL
potato butanone
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
radish isothiocyanate
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 wine white wine - up to 0.06 mg/kg
Search Picture
 
Synonyms:
 ethyl 3-(hydroxypropyl) sulfide
 ethyl 3-hydroxypropyl sulfide
3-(ethyl thio) propan-1-ol
3-(ethyl thio) propanol
3-ethyl thiopropan-1-ol
3-(ethylsulfanyl)propan-1-ol
3-ethylsulfanylpropan-1-ol
3-(ethylthio)propan-1-ol
3-(ethylthio)propanol
3-ethylthiopropan-1-ol
3-ethylthiopropanol
 propan-1-ol, 3-(ethylthio)-
 propan-1-ol, 3-ethylthio-
1-propanol, 3-(ethylthio)-
 

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