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3-ethyl thiopropanol
3-ethyl thiopropanol is a sulfur-containing organic compound with a characteristic sulfurous odor, employed primarily as a flavoring agent in various foods and beverages.
General Material Description
3-ethyl thiopropanol, also systematically known as 3-(ethylthio)propan-1-ol, is an organosulfur compound with the molecular formula C5H12OS. It appears as a clear liquid and exhibits a sulfurous, vegetable-like odor reminiscent of potatoes at a 0.10% concentration in propylene glycol. This compound belongs to the class of thiol-containing alcohols and is recognized by several synonyms including ethyl 3-(hydroxypropyl) sulfide and 3-ethylsulfanylpropan-1-ol. It is cataloged in chemical databases such as PubChem. 3-ethyl thiopropanol can be sourced or synthesized for use mainly in flavor development and sensory studies.
Occurrence, Applicability & Potential Uses
3-ethyl thiopropanol is notably found in white wine at concentrations up to 0.06 mg/kg, contributing to the complex aroma profile of this beverage. It is applied predominantly as a flavoring agent in various food categories. Regulatory evaluation under FEMA (US) supports its use in food, with specified maximum use levels across diverse product categories such as dairy, fats and oils, confectionery, and alcoholic beverages. Its inclusion in natural and processed foods is subject to controlled use levels to ensure consumer safety and consistent sensory outcomes. The compound's sulfurous note can enhance or modify the flavor profiles of savory and processed foods.
Physico-Chemical Properties Summary
3-ethyl thiopropanol possesses a moderate molecular weight of approximately 120.21 g/mol and exhibits a boiling point range between 173 and 175°C at atmospheric pressure (760 mm Hg). Its specific gravity at 25°C ranges narrowly from 0.989 to 0.995, while refractive index values at 20°C lie between 1.48 and 1.486. The compound has an estimated logP value near 0.9, indicating balanced hydrophobic and hydrophilic characteristics, and demonstrates slight solubility in water (approximately 16,170 mg/L at 25°C). Flashpoint determination reports a value around 85°C (converted from 185°F). Vapor pressure at 25°C is low (0.394 mmHg), reflecting limited volatility. These properties influence formulation behavior in flavor applications, particularly regarding solubility, volatility, and stability.
FAQ
What is 3-ethyl thiopropanol and what are its key characteristics?
3-ethyl thiopropanol is an organosulfur compound classified chemically as 3-(ethylthio)propan-1-ol with molecular formula C5H12OS. It is a clear liquid exhibiting a sulfurous odor akin to cooked vegetables or potatoes. The compound is known by several synonyms and appears naturally in some foods and beverages such as white wine, where it contributes to aroma complexity. It is primarily used in flavoring applications due to its distinctive sensory properties.
Where does 3-ethyl thiopropanol occur naturally and how is it used in products?
3-ethyl thiopropanol occurs naturally in white wine at low concentrations, contributing subtle sulfurous aroma notes. Its main application is as a flavoring agent across multiple food categories, regulated by authorities including FEMA (US). Usage levels are defined for products such as dairy, confectionery, and alcoholic beverages to achieve desired sensory effects while maintaining safety. The compound's physicochemical properties support its function in formulations that require balanced volatility and solubility.
What regulations govern the use and safety of 3-ethyl thiopropanol in food?
The use of 3-ethyl thiopropanol as a flavoring agent is evaluated under FEMA (US) and other regulatory bodies with established intake thresholds and usage limits in several food categories. Safety assessments classify it as a Category I structure, permitting specified maximum use levels detailed in European Commission regulations (EC, 2000). No significant hazard classifications have been identified under OSHA and GHS criteria, and precautionary statements are not mandated. Comprehensive toxicological data supporting regulatory decisions are accessible from EFSA and other agencies.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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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): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | 3-ethyl thiopropanol |
| Trivial Name | 3-(Ethylthio)-1-propanol |
| Short Description | 3-(ethylthio)propan-1-ol |
| Formula | C5 H12 O S |
| CAS Number | 18721-61-4 |
| Flavis Number | 12.129 |
| ECHA Number | 242-534-9 |
| FDA UNII | GV26YUE5ZT |
| Nikkaji Number | J222.284A |
| xLogP3-AA | 0.90 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 120.21484375 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.229 to 8.279 |
| Refractive Index | 1.48 to 1.486 @ 20 °C |
| Boiling Point | 173 to 175°C @ 760 mm Hg |
| Vapor Pressure | 0.394 mmHg @ 25 °C |
| Flash Point TCC Value | 85 °C TCC |
| logP (o/w) | 0.927 est |
| Solubility | |
| alcohol | Yes |
| water, slightly | Yes |
| water, 1.617e+004 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Sulfurous | |
| sulfurous, vegetable, potato | |
| General comment | At 0.10 % in propylene glycol. sulfurous vegetable potato |
Occurrences
| (data available) |
Safety Information
Safety information
| 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/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 0.40000 | 2.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.20000 | 1.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.40000 | 2.00000 | |
| Processed fruit (04.1): | 0.30000 | 1.50000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 1.00000 | 5.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 | |
| Bakery wares (07.0): | 0.40000 | 2.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.40000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.40000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.20000 | 1.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.40000 | 2.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.20000 | 1.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | 5.00000 | |
| Ready-to-eat savouries (15.0): | 1.00000 | 5.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.20000 | 1.00000 | |
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 |
| AIDS Citations:Search |
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| Toxicology Citations:Search |
| 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 |