Articles:
1-methylbutyl acetate
Notes:
Used as a food additive [EAFUS]
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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): 626-38-0 2-Pentyl Acetate
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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): ES0050 2-Pentyl acetate
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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): 16-10925 2-PENTYL ACETATE
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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): ES0050 2-Pentyl acetate
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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): 2-Pentyl acetate Halal, Kosher
Use: adds to the character of a fresh banana flavor.
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WholeChem, LLC Connecting Innovators To the Building Blocks Of the Universe Custom manufacturer and distributor of specialty ingredients. We make global local. SQF-Certified Supplier We owe our success to our integrity, our dedication to the industry, and our commitment to our clients. We invite your inquiries regarding our current product list and any other products you may be having trouble sourcing. Email: Info Email: Orders Voice: +1 (262) 995.8668 Certification Our Services Products List: View Product(s): 2-Pentyl Acetate
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| CAS Number: | 626-38-0 |  3D/inchi
|
| Other(deleted CASRN): | 116783-17-6 | |
| ECHA EINECS - REACH Pre-Reg: | 210-946-8 | |
| FDA UNII: | B570113U4Q | |
| Nikkaji Web: | J6.862D | |
| Beilstein Number: | 1721249 | |
| MDL: | MFCD00027906 | |
| CoE Number: | 10761 | |
| XlogP3-AA: | 1.80 (est) | |
| Molecular Weight: | 130.18698000 | |
| Formula: | C7 H14 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | JECFA evaluated 2-pentyl acetate (CASrn as in Register). (R)- or (S)- enantiomer not specified by CASrn in Register. Racemate (EFFA, 2010a). | |
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: | 1146 2-pentyl acetate |
| DG SANTE Food Flavourings: | 09.657 1-methylbutyl acetate |
| FEMA Number: | 4012 2-pentyl acetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 626-38-0 ; 2-PENTYL ACETATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.86200 to 0.86600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.173 to 7.206 |
| Refractive Index: | 1.36900 to 1.40000 @ 20.00 °C. |
| Boiling Point: | 135.00 °C. @ 760.00 mm Hg |
| Acid Value: | 2.00 max. KOH/g |
| Vapor Pressure: | 9.684000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 92.00 °F. TCC ( 33.33 °C. ) |
| logP (o/w): | 2.158 (est) |
| Soluble in: | |
| alcohol | |
| water, 1070 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: herbal | |
| herbal weedy musty green vegetable nut skin beany ketonic animal | |
| Odor Description: at 100.00 %. | herbal weedy musty green vegetable nut skin beany ketonic animal Luebke, William tgsc, (2017) |
| orange juicy musty green fruity banana vegetable nutty | |
| Odor Description: at 1.00 %. | orange juicy, impacting, musty green unripe fruity reminiscent of banana and vegetative nuances with a slight nutty note Mosciano, Gerard, (2009) |
| Flavor Type: dairy | |
| dairy nut skin beany vegetable green musty nutty oily | |
| Taste Description: | dairy nut skin beany vegetable green musty nutty oily Luebke, William tgsc, (2017) |
| orange tropical fruity nutty | |
| Taste Description: at 10.00 ppm. | Orange tingle, tropical, tongue raspy, with fruity and nutty nuances Mosciano, Gerard, (2009) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 2-Pentyl Acetate |
| Endeavour Specialty Chemicals |
| 2-Pentyl acetate |
| Speciality Chemical Product Groups |
| Kingchem Laboratories |
| 2-Pentyl Acetate |
| Parchem |
| 2-pentyl acetate |
| Penta International |
| 2-PENTYL ACETATE |
| R C Treatt & Co Ltd |
| 2-Pentyl acetate
Halal, Kosher Flavor: fruity Use: adds to the character of a fresh banana flavor. |
| Robinson Brothers |
| 2-Pentyl acetate |
| https://www.robinsonbrothers.uk/chemistry-competences |
| WholeChem |
| 2-Pentyl Acetate |
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: | |
|
inhalation-guinea pig LCLo 10000 ppm/5H SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Public Health Reports. Vol. 51, Pg. 811, 1936. inhalation-human TCLo 200 ppm SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 282, 1943. | |
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 2-pentyl acetate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.90 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 3.00 (μg/capita/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: 20 | |||
| Click here to view publication 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 30.00000 | 120.00000 | |
| beverages(nonalcoholic): | 10.00000 | 20.00000 | |
| beverages(alcoholic): | 10.00000 | 25.00000 | |
| breakfast cereal: | 1.00000 | 10.00000 | |
| cheese: | - | - | |
| chewing gum: | 125.00000 | 300.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 5.00000 | 25.00000 | |
| egg products: | 5.00000 | 25.00000 | |
| fats / oils: | 5.00000 | 25.00000 | |
| fish products: | - | - | |
| frozen dairy: | 15.00000 | 30.00000 | |
| fruit ices: | 1.50000 | 8.00000 | |
| gelatins / puddings: | 1.50000 | 8.00000 | |
| granulated sugar: | - | - | |
| gravies: | 3.00000 | 15.00000 | |
| hard candy: | 25.00000 | 60.00000 | |
| imitation dairy: | 10.00000 | 20.00000 | |
| instant coffee / tea: | 1.50000 | 8.00000 | |
| jams / jellies: | 5.00000 | 25.00000 | |
| meat products: | - | - | |
| milk products: | 10.00000 | 20.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 5.00000 | 25.00000 | |
| snack foods: | 5.00000 | 25.00000 | |
| soft candy: | 5.00000 | 25.00000 | |
| soups: | 1.00000 | 10.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
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): | |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf | |
| Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission View page or View pdf | |
| Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 (2012) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07Rev4 View page or View pdf | |
| EPI System: | View |
| NIOSH International Chemical Safety Cards: | search |
| NIOSH Pocket Guide: | search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 626-38-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 12278 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1104 |
| WGK Germany: | 3 |
| pentan-2-yl acetate | |
| Chemidplus: | 0000626380 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | 626-38-0 |
References:
| Leffingwell: | Chirality or Article |
| pentan-2-yl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 626-38-0 |
| Pubchem (cid): | 12278 |
| Pubchem (sid): | 134978289 |
| Pherobase: | View |
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): | HMDB31600 |
| FooDB: | FDB008232 |
| Export Tariff Code: | 2915.39.0090 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: purity, ester content as amyl acetate, 85-88%. grades: technical. | |
Potential Blenders and core components note
Potential Uses:
| banana | FR | |
| hazelnut | FR | |
| herbal | FR | |
| orange | FR | |
| peanut | FR | |
| wine | FR |
Occurrence (nature, food, other): note
| apricot fruit Search Trop Picture | |
| cycas rumphii Search Trop Picture | |
| pear fruit Search Trop Picture | |
| theobroma cacao pulp Search Trop Picture |
Synonyms:
| acetic acid 1-methylbutyl ester | |
| acetic acid 2-pentyl ester | |
| acetic acid, 2-pentyl ester | |
| acetic acid, sec-pentyl ester | |
| 2- | acetoxypentane |
| sec- | amyl acetate |
| secondary- | amyl acetate |
| 1- | methyl butyl acetate |
| 1- | methylbutyl acetate |
| pentan-2-yl acetate | |
| 2- | pentanol acetate |
| 2- | pentanol, acetate |
| sec- | pentyl acetate |
| 2- | pentyl ester of acetic acid |