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isobutyl octadecanoate
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Berje Inc. Where the world comes to its senses Where the world comes to its senses - Berjé is a global distributor of Essential Oils and Aromatic Chemicals. Berjé is a family-owned business that has been in operation for six decades. The company's origins and strength lie in a profound understanding of the supply and the quality of the diverse raw materials consumed by the flavor and fragrance industries. This base was expanded upon more than two decades ago to include fragrance production. The company's unparalleled raw material expertise is focused on the supply of essential oils and aromatic chemicals. This is supported by our long-standing relationships with a worldwide fabric of producers ensuring the greatest prospects for uninterrupted supply in markets that are often volatile and unpredictable. Email: For Information Email: For Sales Voice: 973-748-8980 Fax: 973-680-9618 Instagram Linkedin Flavor Ingredients Fragrance Ingredients Functional Ingredients Media Products List: View Product(s): isoButyl Stearate
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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): 646-13-9 isoButyl Stearate
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| CAS Number: | 646-13-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 211-466-1 | |
| FDA UNII: | V8DPR6HNX3 | |
| Nikkaji Web: | J95.901D | |
| Beilstein Number: | 1792857 | |
| MDL: | MFCD00072278 | |
| XlogP3-AA: | 9.90 (est) | |
| Molecular Weight: | 340.59108000 | |
| Formula: | C22 H44 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: solvents/deluents for cosmetic, flavor and/or 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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| DG SANTE Food Flavourings: | 09.592 isobutyl octadecanoate |
| FDA Mainterm (IAUFC): | 646-13-9 ; ISOBUTYL STEARATE |
Physical Properties:
| Appearance: | colorless waxy oily solid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.85000 to 0.85400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.073 to 7.106 |
| Refractive Index: | 1.44100 @ 25.00 °C. |
| Melting Point: | 28.90 °C. @ 760.00 mm Hg |
| Boiling Point: | 200.00 °C. @ 4.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Saponification Value: | 170.00 to 180.00 |
| Vapor Pressure: | 0.000020 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 9.800 (est) |
| Soluble in: | |
| alcohol | |
| fixed oils | |
| mineral oil | |
| water, 4.21e-005 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Strength: | low |
| Odor Description: at 100.00 %. | mild fatty |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
skin conditioning skin conditioning - emollient |
Suppliers:
| Berjé |
| isoButyl Stearate |
| Media |
| BOC Sciences |
| For experimental / research use only. |
| isoButyl Stearate |
| EMD Millipore |
| For experimental / research use only. |
| isoButyl Stearate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| isoButyl Stearate |
Safety Information:
| Preferred SDS: View | |
| 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 36 - Wear suitable protective clothing. | |
| 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: | solvents/deluents for cosmetic, flavor and/or fragrance agents | ||
| Recommendation for isobutyl stearate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.0012 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (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): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
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 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 646-13-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 12588 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | nwg |
| 2-methylpropyl octadecanoate | |
| Chemidplus: | 0000646139 |
References:
| 2-methylpropyl octadecanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 646-13-9 |
| Pubchem (cid): | 12588 |
| Pubchem (sid): | 134976962 |
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 Indirect Additives used in Food Contact Substances: | View |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| emollients | ||
| skin conditioning |
Occurrence (nature, food, other): note
| pequi fruit Search Trop Picture |
Synonyms:
| iso | butyl octadecanoate |
| 2- | methyl propyl octadecanoate |
| 2- | methylpropyl octadecanoate |
| octadecanoic acid 2-methyl propyl ester | |
| octadecanoic acid, 2-methylpropyl ester | |
| stearic acid 2-methyl propyl ester | |
| stearic acid, 2-methylpropyl ester | |
| stearic acid, isobutyl ester |