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bis(2-methylpropyl) hexanedioate
Notes:
Food additive [Goodscents]
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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): 141-04-8 Diisobutyl Adipate
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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): 04-25000 DIISOBUTYL ADIPATE
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SRS Aromatics Ltd For over 25 years Bringing flavour and fragrance into your world. As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply. Email: Info Email: Sales Voice: +44 (0) 1284 704076 Fax: +44 (0) 1284 760819 Twitter Linkedin News Product(s): DI ISO BUTYL ADIPATE
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): A0706 Diisobutyl Adipate >99.0%(GC)
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| CAS Number: | 141-04-8 |  3D/inchi
|
| Other(deleted CASRN): | 53659-85-1 | |
| ECHA EINECS - REACH Pre-Reg: | 205-450-3 | |
| FDA UNII: | 8OPY05ZY7S | |
| Nikkaji Web: | J26.287K | |
| Beilstein Number: | 1791084 | |
| MDL: | MFCD00053722 | |
| XlogP3-AA: | 3.20 (est) | |
| Molecular Weight: | 258.35802000 | |
| Formula: | C14 H26 O4 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: food-contact surface of paper and paperboard
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: | 1967 diisobutyl adipate |
| FEMA Number: | 4475 diisobutyl adipate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 141-04-8 ; DIISOBUTYL ADIPATE |
| FDA Mainterm (IAUFC): | 141-04-8 ; DIISOBUTYL ADIPATE |
| FDA Regulation: | |
| FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS Subpart B--Substances for Use Only as Components of Adhesives Sec. 175.105 Adhesives. FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS Subpart C--Substances for Use as Components of Coatings Sec. 175.300 Resinous and polymeric coatings. FDA PART 181 -- PRIOR-SANCTIONED FOOD INGREDIENTS Subpart B--Specific Prior-Sanctioned Food Ingredients Sec. 181.27 Plasticizers. | |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.95000 to 0.95600 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.914 to 7.964 |
| Refractive Index: | 1.42800 to 1.43400 @ 20.00 °C. |
| Melting Point: | -20.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 279.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.004000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 235.00 °F. TCC ( 112.78 °C. ) |
| logP (o/w): | 3.695 (est) |
| Soluble in: | |
| alcohol | |
| water, 5.649 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Strength: | low |
| Odor Description: at 100.00 %. | mild estery |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
fragrance plasticisers skin conditioning skin conditioning - emollient solvents |
Suppliers:
| Alzo International |
| Dermol DIBA |
| Axsyn |
| For experimental / research use only. |
| Hexanedioic acid,1,6-bis(2-methylpropyl) ester |
| BOC Sciences |
| For experimental / research use only. |
| Diisobutyl Adipate |
| Carbosynth |
| For experimental / research use only. |
| Diisobutyl Adipate |
| Grau Aromatics |
| DI-iso-BUTYL-ADIPATE
NI |
| HallStar |
| HALLTRESS® DIBA SPECIAL
Odor: characteristic Use: HallTress DIBA is a multifunctional (plasticizer, emollient, solvent), synthetically produced diester of Isobutyl Alcohol and Adipic Acid. It is non-occlusive, non-oily, is mildly drying and has fast spreading action and good solvent properties. It finds application as a plasticizer for hair fixatives and nail polishes and enamels and as a hydro-alcoholic coupler for colognes and toilet waters. It also finds application as an emollient, skin conditioner, solvent, penetrant, superfatting agent, and pigment wetter/dispersant in bath products and skin lotions and as a relatively polar solid UV filter solvent in sunscreens. |
| HallStar |
| PLASTHALL® DIBA
Odor: characteristic Use: PLASTHALL DIBA is diisobutyl adipate. It imparts low temperature flexibility but has poor permanence. PLASTHALL DIBA is also effective at solvating various polymers. It has compatibility with many lower polarity polymers. |
| Inoue Perfumery |
| DIISOBUTYL ADIPATE |
| Kao Corporation |
| VINYCIZER 40(DIBA)
Odor: characteristic Use: Secondary plasticizer for Plastics. Films, sheets, leathers, hose, tile and plastisol. |
| Penta International |
| DIISOBUTYL ADIPATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Diisobutyl Adipate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Diisobutyl adipate 99% |
| SRS Aromatics |
| DI ISO BUTYL ADIPATE |
| TCI AMERICA |
| For experimental / research use only. |
| Diisobutyl Adipate >99.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
|
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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: | |
|
oral-guinea pig LD50 12300 ul/kg German Offenlegungsschrift Patent Document. Vol. #2703360 intraperitoneal-rat LD50 5950 ul/kg Journal of Pharmaceutical Sciences. Vol. 62, Pg. 1596, 1973. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | food-contact surface of paper and paperboard | ||
| Recommendation for diisobutyl adipate usage levels up to: | |||
| not for fragrance use. | |||
| 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: 24 | |||
| Click here to view publication 24 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 5.00000 | 10.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | 5.00000 | 10.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | 5.00000 | 10.00000 | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 5.00000 | 10.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | 5.00000 | 10.00000 | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 141-04-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 8831 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 1 |
| bis(2-methylpropyl) hexanedioate | |
| Chemidplus: | 0000141048 |
| RTECS: | AV1480000 for cas# 141-04-8 |
References:
| bis(2-methylpropyl) hexanedioate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 141-04-8 |
| Pubchem (cid): | 8831 |
| Pubchem (sid): | 134975093 |
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 |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C14260 |
| HMDB (The Human Metabolome Database): | HMDB41618 |
| FooDB: | FDB021779 |
| Export Tariff Code: | 2917.19.2700 |
| ChemSpider: | View |
| Wikipedia: | View |
| FAO: | Diisobutyl adipate |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| emollients | ||
| fixer | ||
| plasticisers | ||
| skin conditioning | ||
| solvents |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| adipic acid bis(2-methylpropyl) ester | |
| adipic acid di-isobutyl ester | |
| adipic acid diisobutyl ester | |
| adipic acid, diisobutyl ester | |
| iso | butyl adipate |
| di-iso-butyl-adipate | |
| DIBA | |
| diisobutyl hexane dioate | |
| diisobutyl hexanedioate | |
| diisobutyladipate | |
| ftaflex DIBA | |
| hexane dioic acid bis(2-methyl propyl) ester | |
| hexanedioic acid bis(2-methylpropyl) ester | |
| hexanedioic acid, bis (2-methylpropyl) ester | |
| hexanedioic acid, bis(2-methylpropyl) ester | |
| hexanedioic acid, di-C4-13-branched alkyl esters | |
| hexanedioic acid, diisobutyl ester | |
| hexanedioic acid,1,6-bis(2-methylpropyl) ester | |
| bis(2- | methyl propyl) hexane dioate |
| bis(2- | methylpropyl) hexanedioate |
| bis(2- | methylpropyl)hexanedioate |
| plasthall DIBA | |
| uniplex 165 |