Articles:
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aruscolate (Firmenich)
Notes:
Used as a food additive [EAFUS]
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Firmenich Inc. We Create We create perfumes and flavors for the World's most desirable brands. Firmenich is the largest privately-owned company in the perfume and flavor business. Swiss and family owned, we have created many of the world’s favorite perfumes for over 100 years and produced a number of the most well known flavors we enjoy each day. US Email: Fred Keifer US Voice: +1 609 452 1000 US Fax: +1 609 452 6077 Facebook Twitter Instagram Linkedin Product(s): 911129 ARUSCOL® TRIAC Kosher, Halal for flavor
ARUSCOLATE® does not present off notes usually associated with sulphur materials. It is perfect for peach, grapefruit, tropical fruits and berries. It provides a havier effect than ARUSCOL® TRIAC, impacting more on the body of the flavor than on the top notes.
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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): 13-15543 3-MERCAPTOHEPTYL ACETATE 1% IN TRIACETIN
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Ernesto Ventós S.A. Leaders in essence We employ our five senses to do our job well. Ventos has specialized in the distribution of raw materials for the flavour and fragrance industry. With more than 1700 references permanently available from stock, we offer a just-in-time response to our customer needs, being able to deliver from 1kg to several tonnes all over the world. Email: Information US Email: Information USA Email: Gemma Parramon (Europe) US Email: Gemma Parramon (Europe) Email: Jorge Sos (Asia) Email: Ramon Rubau (America) Voice: +34 934706210 Fax: +34 934733010 US Voice: +1 856 226 7501 Instagram Linkedin Youtube Press Ads Videos Product(s): ARUSCOLATE 1 TRIAC 911129 FIRMENICH
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| CAS Number: | 548774-80-7 |  3D/inchi
|
| FDA UNII: | 4DR80W0YR1 | |
| XlogP3-AA: | 2.60 (est) | |
| Molecular Weight: | 190.30586000 | |
| Formula: | C9 H18 O2 S | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | Specifications (Flavour Industry, 2007j; EFFA, 2011k). Racemate (EFFA, 2010a). | |
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 |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1708 3-mercaptoheptyl acetate |
| DG SANTE Food Flavourings: | 12.297 3-mercaptoheptyl acetate |
| FEMA Number: | 4289 3-mercaptoheptyl acetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 548774-80-7 ; 3-MERCAPTOHEPTYL ACETATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.90 to 100.00 % |
| Additional Assay Information: | racemate |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.98260 to 0.98300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.176 to 8.180 |
| Refractive Index: | 1.46050 to 1.46070 @ 20.00 °C. |
| Boiling Point: | 242.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.017000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 257.00 °F. TCC ( 125.00 °C. ) |
| logP (o/w): | 3.126 (est) |
| Soluble in: | |
| alcohol | |
| water | |
| water, 92.44 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: sulfurous | |
| sulfurous fruity | |
| Odor Description: at 0.10 % in propylene glycol. | sulfurous fruity |
| Flavor Type: citrus | |
| grapefruit fruity juicy berry tropical tea peach | |
| Taste Description: | grapefruit fruity juicy berry tropical tea peach |
| Odor and/or flavor descriptions from others (if found). | |
| Firmenich | |
| ARUSCOL® TRIAC Kosher, Halal for flavor | |
| Taste Description: | Fruity, sulfury, metallic, grapefruit and exotic notes ARUSCOLATE® does not present off notes usually associated with sulphur materials. It is perfect for peach, grapefruit, tropical fruits and berries. It provides a havier effect than ARUSCOL® TRIAC, impacting more on the body of the flavor than on the top notes. |
Cosmetic Information:
| None found |
Suppliers:
| Ernesto Ventós |
| ARUSCOLATE 1 TRIAC 911129 FIRMENICH |
| Firmenich |
| ARUSCOL® TRIAC Kosher, Halal
for flavor Flavor: Fruity, sulfury, metallic, grapefruit and exotic notes ARUSCOLATE® does not present off notes
usually associated with sulphur materials.
It is perfect for peach, grapefruit, tropical fruits
and berries. It provides a havier effect than
ARUSCOL® TRIAC, impacting more on the body
of the flavor than on the top notes. |
| Parchem |
| 3-mercaptoheptyl acetate |
| Penta International |
| 3-MERCAPTOHEPTYL ACETATE 1% IN TRIACETIN |
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-mercaptoheptyl acetate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.0012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 19 (μg/person/day) | ||
| NOEL (No Observed Effect Level): | 0.7 (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: | 3.00000 | 5.00000 | |
| beverages(nonalcoholic): | 1.00000 | 3.00000 | |
| beverages(alcoholic): | 5.00000 | 10.00000 | |
| breakfast cereal: | 2.00000 | 5.00000 | |
| cheese: | - | - | |
| chewing gum: | 5.00000 | 10.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.50000 | 2.00000 | |
| egg products: | - | - | |
| fats / oils: | 2.00000 | 5.00000 | |
| fish products: | - | - | |
| frozen dairy: | 2.00000 | 5.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 2.00000 | 4.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 2.00000 | 4.00000 | |
| imitation dairy: | 2.00000 | 4.00000 | |
| instant coffee / tea: | 1.00000 | 4.00000 | |
| jams / jellies: | 2.00000 | 5.00000 | |
| meat products: | - | - | |
| milk products: | 0.50000 | 3.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 50.00000 | 100.00000 | |
| snack foods: | - | - | |
| soft candy: | 2.00000 | 4.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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): | 0.01000 | 0.10000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.10000 | 1.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.01000 | 0.10000 | |
| Processed fruit (04.1): | 0.01000 | 0.10000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 0.01000 | 0.10000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.02000 | 0.20000 | |
| Bakery wares (07.0): | 0.02000 | 0.20000 | |
| Meat and meat products, including poultry and game (08.0): | 0.02000 | 0.20000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.02000 | 0.20000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.03000 | 0.30000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.03000 | 0.30000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.01000 | 0.05000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.05000 | 0.50000 | |
| Ready-to-eat savouries (15.0): | 0.01000 | 0.10000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.01000 | 0.10000 | |
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 ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6430879 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 3-sulfanylheptyl acetate | |
| Chemidplus: | 0548774807 |
References:
| Leffingwell: | Chirality or Article |
| 3-sulfanylheptyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6430879 |
| Pubchem (sid): | 125694188 |
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): | HMDB32372 |
| FooDB: | FDB009789 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| ruta chalepensis Search Trop Picture |
Synonyms:
| aruscolate (Firmenich) | |
| 1- | heptanol, 3-mercapto-, acetate |
| 3- | mercaptoheptyl-acetate |
| 3- | sulfanyl heptyl acetate |
| 3- | sulfanylheptyl acetate |