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S-isopropyl 3-methylbut-2-enethioate
Notes:
Used as a food additive [EAFUS]
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Beijing Lys Chemicals Co, LTD. From Grams to Tons Fine chemical high-tech company which contains R&D, production, and sales. BEIJING LYS CHEMICALS CO, LTD, established in 2004, is a fine chemical high-tech company which contains R&D, production, and sales. We mainly engaged in export and technology development of flavor and fragrance materials and pharmaceutical intermediates. We have nearly 500 kinds of products, from grams to tons, exported to USA, Europe, South Asia and etc. And we custom manufacture new products according to customers’ needs, and serve good quality products and service. Our goal is to become a fine chemical enterprise which could provide special products and services. Email: Mr. Jia Email: Mr. Guo Voice: 86-10-68418738 Fax: 86-10-68418739 Mr. Guo 86-10-68483445 Mr. Guo 86-10-68418739 News Product(s): 10684 S-Isopropyl 3-methylbut-2-enethioate
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 34365-79-2 isoPropyl 3-methylthio-2-butenoate
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Endeavour Specialty Chemicals Ltd Expertise in high impact aroma chemicals Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale. Speciality Chemical has more than 25 years experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavours products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site. Email: Info Email: Sales Voice: +44 (0)1327 310 079 Fax: +44 (0)1327 310 701 Twitter Linkedin News Speciality Chemical Product Groups Product(s): TE0090 S-Isopropyl 3-methylbut-2-enethioate
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 09-55200 S-ISOPROPYL-3-METHYLBUT-2-ENETHIOATE
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Robinson Brothers Limited Providing Excellence in Chemistry Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Based in the UK, Robinson Brothers is an award-winning chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Robinson Brothers serve many industry sectors across the globe, include: flavour/fragrance, pharmaceutical, agrochemical and material sciences. Our team of Chemists are experts in custom synthesis, contract manufacture and process optimisation. Email: Info Email: Sales Voice: +44 (0)121 553 2451 Fax: +44 (0)121 500 5183 Twitter Linkedin News And Exhibitions Custom Synthesis Industries And Applications https://www.robinsonbrothers.uk/chemistry-competences Products List: View Product(s): TE0090 S-Isopropyl 3-methylbut-2-enethioate
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Taytonn ASCC Pte Ltd Supplying Asia Pacific We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service. Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers. Email: Info Email: Sales Voice: + 65 - 6861 8113 Fax: + 65 - 6861 8115 Linkedin Product(s): S-Isopropyl 3-Methylbut-2-Enethioate
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R C Treatt and Co Ltd Innovative ingredient solutions World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries. We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products. Email: Enquiries US Email: Enquiries Voice: +44 (0) 1284 702500 Fax: +44 (0) 1284 703809 US Voice: +1 863 668 9500 US Fax: +1 863 668 3388 Twitter Linkedin Youtube News Product(s): Isopropyl 3-methylbut-2-enethioate
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| CAS Number: | 34365-79-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 251-966-7 | |
| FDA UNII: | NZT1CT5W8U | |
| Nikkaji Web: | J287.917D | |
| XlogP3-AA: | 2.90 (est) | |
| Molecular Weight: | 158.26378000 | |
| Formula: | C8 H14 O S | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: flavor and fragrance 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 |
| JECFA Food Flavoring: | 1679 S-isopropyl 3-methylbut-2-enethioate |
| DG SANTE Food Flavourings: | 12.134 S-isopropyl 3-methylbut-2-enethioate |
| FEMA Number: | 4260 S-isopropyl 3-methylbut-2-enethioate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 34365-79-2 ; S-ISOPROPYL 3-METHYLBUT-2-ENETHIOATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.00600 to 1.01200 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.371 to 8.421 |
| Refractive Index: | 1.48600 to 1.49200 @ 20.00 °C. |
| Boiling Point: | 236.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.062000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 5.4 ( Air = 1 ) |
| Flash Point: | 149.00 °F. TCC ( 65.00 °C. ) |
| logP (o/w): | 2.709 (est) |
| Soluble in: | |
| alcohol | |
| water, very slightly | |
| water, 258.3 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl crotonate | |
| isoamyl crotonate | |
| apple crotonate | |
| benzyl crotonate | |
| butyl (E)-2-crotonate | |
| citronellyl crotonate | |
| cyclohexyl crotonate | |
| dimethyl benzyl carbinyl crotonate | |
| ethyl (E)-2-crotonate | |
| ethyl crotonate | |
| fig crotonate | |
| geranyl crotonate | |
| heptyl crotonate | |
| (Z)-3-hexen-1-yl (E)-crotonate | |
| (E)-3-hexen-1-yl crotonate | |
| hexyl (E)-crotonate | |
| octyl crotonate | |
| phenethyl crotonate | |
| 3-phenyl propyl crotonate | |
| plum crotonate | |
| isopropyl (E)-crotonate | |
| propyl crotonate | |
Organoleptic Properties:
| Odor Type: green | |
| green galbanum alliaceous earthy | |
| Odor Description: at 1.00 % in dipropylene glycol. | green galbanum alliaceous |
| Odor and/or flavor descriptions from others (if found). | |
| Taytonn ASCC | |
| S-Isopropyl 3-Methylbut-2-Enethioate | |
| Odor Description: | Galbanum, Green |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 37/39 - Wear suitable 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: | flavor and fragrance agents | ||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for isopropyl 3-methyl thiocrotonate usage levels up to: | |||
| 0.2000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 370 (μg/person/day) | ||
| NOEL (No Observed Effect Level): | 6.5 (mg/kg bw per day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.40000 | 2.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 0.20000 | 1.00000 | |
| cheese: | 0.40000 | 2.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 0.20000 | 1.00000 | |
| confectionery froastings: | 0.40000 | 2.00000 | |
| egg products: | - | - | |
| fats / oils: | 0.20000 | 1.00000 | |
| fish products: | 0.10000 | 0.40000 | |
| frozen dairy: | 0.40000 | 2.00000 | |
| fruit ices: | 0.40000 | 2.00000 | |
| gelatins / puddings: | 0.40000 | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | 0.20000 | 1.00000 | |
| hard candy: | 0.40000 | 2.00000 | |
| imitation dairy: | 0.40000 | 2.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.10000 | 0.40000 | |
| milk products: | 0.40000 | 2.00000 | |
| nut products: | - | - | |
| other grains: | 0.20000 | 1.00000 | |
| poultry: | 0.10000 | 0.40000 | |
| processed fruits: | 0.30000 | 1.50000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.20000 | 1.00000 | |
| snack foods: | 1.00000 | 5.00000 | |
| soft candy: | 0.40000 | 2.00000 | |
| soups: | 0.20000 | 1.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.20000 | 1.00000 | |
| 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): | 0.40000 | 2.00000 | |
| Chewing gum (05.0): | - | - | |
| 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): | 0.40000 | 2.00000 | |
| 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 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 | |
| Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): 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.08Rev3 (2011) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the 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.08Rev5 (2012) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 34365-79-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 118658 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| S-propan-2-yl 3-methylbut-2-enethioate | |
| Chemidplus: | 0034365792 |
References:
| S-propan-2-yl 3-methylbut-2-enethioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 34365-79-2 |
| Pubchem (cid): | 118658 |
| Pubchem (sid): | 135074836 |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB32354 |
| FooDB: | FDB009654 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| balsamic | ||
| cotinus coggygria branch/leaf oil | FL/FR | |
| fruity | ||
| allyl amyl glycolate | FR | |
| green | ||
| S-sec- | butyl thioisovalerate | FL/FR |
| galbanum decatriene | FL/FR | |
| galbanum oxyacetate | FR | |
| galbascone (IFF) | FR | |
| leafy oxime | FR | |
| iso | propyl thioisovalerate | FL/FR |
| spirogalbanone (Givaudan) | FR | |
| tropical | ||
| cis- | galbanum oxathiane | FL/FR |
| 2- | tropical oxathiane | FL/FR |
| For Flavor | ||
| No flavor group found for these | ||
| S-sec- | butyl thioisovalerate | FL/FR |
| cotinus coggygria branch/leaf oil | FL/FR | |
| iso | propyl thioisovalerate | FL/FR |
| green | ||
| galbanum decatriene | FL/FR | |
| cis- | galbanum oxathiane | FL/FR |
| tropical | ||
| 2- | tropical oxathiane | FL/FR |
Potential Uses:
| galbanum | FR | |
| green | FR |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| 2- | butenethioic acid, 3-methyl-, S-(1-methylethyl) ester |
| S-1- | methyl ethyl 3-methyl but-2-ene thioate |
| 3- | methyl-2-butene thioic acid S-(1-methyl ethyl) ester |
| S-1- | methylethyl 3-methylbut-2-enethioate |
| S-(1- | methylethyl) 3-methyl-2-butenethioate |
| 2- | nutenethioic acid,3-methyl-, S-(1-methylethyl) ester |
| S- | propan-2-yl 3-methylbut-2-enethioate |
| S-iso | propyl 3-methyl but-2-ene thioate |
| iso | propyl 3-methyl thio-2-butenoate |
| S-iso | propyl 3-methyl thiocrotonate |
| S-iso | propyl 3-methylbut-2-enethioate |
| iso | propyl 3-methylthio-2-butenoate |
| S-iso | propyl 3-methylthiocrotonate |
| iso | propyl thio-3-methylcrotonate |
| S-iso | propyl thiosenecioate |