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diisobutyl carbinol
Notes:
Flavouring ingredient
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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): 108-82-7 Diisobutylcarbinol
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Moellhausen S.P.A. THE CHEMISTRY OF EMOTIONS Innovation and commitment in the name of excellence. After 50 years in business, Moellhausen stands out as one of the world’s leading family-run companies in the industry of flavors and fragrances, raw materials, and specialties. Voice: +39 039.685.6262 Fax: +39 039.685.6263 Facebook Twitter Linkedin Youtube A network of knowledge to grow together Sustainability is at the foundation of a Pervasive technology and total control Product(s): 100852 2,6-DIMETHYL HEPTAN-4-OL
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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): 04-26000 DIISOBUTYL CARBINOL
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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): D0732 2,6-Dimethyl-4-heptanol >85.0%(GC)
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| CAS Number: | 108-82-7 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 203-619-6 | |
| FDA UNII: | X5ATE41R0F | |
| Nikkaji Web: | J58.121F | |
| Beilstein Number: | 1733804 | |
| MDL: | MFCD00008944 | |
| CoE Number: | 11719 | |
| XlogP3-AA: | 3.00 (est) | |
| Molecular Weight: | 144.25760000 | |
| Formula: | C9 H20 O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | At least 90%; secondary component 8-9% 2-heptanol. (JECFA) | |
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: | 303 2,6-dimethyl-4-heptanol |
| DG SANTE Food Flavourings: | 02.081 2,6-dimethylheptan-4-ol |
| FEMA Number: | 3140 2,6-dimethyl-4-heptanol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 108-82-7 ; 2,6-DIMETHYL-4-HEPTANOL |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 82.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.80900 to 0.81400 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 6.740 to 6.781 |
| Refractive Index: | 1.42100 to 1.42500 @ 20.00 °C. |
| Boiling Point: | 174.00 to 178.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.303000 mmHg @ 25.00 °C. |
| Vapor Density: | 4.97 ( Air = 1 ) |
| Flash Point: | 151.00 °F. TCC ( 66.11 °C. ) |
| logP (o/w): | 2.918 (est) |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| water, 613.8 mg/L @ 25 °C (est) | |
| water, 445 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: ethereal | |
| fresh ethereal fermented yeasty | |
| Odor Description: at 10.00 % in dipropylene glycol. | mild fresh ethereal fermented yeasty |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Diisobutylcarbinol |
| Matrix Scientific |
| For experimental / research use only. |
| 2,6-Dimethylheptan-4-ol, 85% |
| Moellhausen |
| 2,6-DIMETHYL HEPTAN-4-OL
Odor: mild fresh, ethereal, fermented & yeasty |
| Parchem |
| 2,6-dimethyl-4-heptanol |
| Pearlchem Corporation |
| Dimethyl Heptanol |
| Penta International |
| DIISOBUTYL CARBINOL |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2,6-Dimethyl-4-heptanol |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2,6-Dimethyl-4-heptanol 80% |
| TCI AMERICA |
| For experimental / research use only. |
| 2,6-Dimethyl-4-heptanol >85.0%(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: | |
|
intraperitoneal-rat LD50 800 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 22, 1974. oral-mouse LD50 3530 mg/kg Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961. oral-rat LD50 3560 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 4600 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 22, 1974. | |
| 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 | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 20.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 20.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 20.00000 | |
| fruit ices: | - | 20.00000 | |
| gelatins / puddings: | - | 20.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 20.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| 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 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 | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 108-82-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7957 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1157 |
| WGK Germany: | 2 |
| 2,6-dimethylheptan-4-ol | |
| Chemidplus: | 0000108827 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | MJ3325000 for cas# 108-82-7 |
References:
| 2,6-dimethylheptan-4-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 108-82-7 |
| Pubchem (cid): | 7957 |
| Pubchem (sid): | 134973327 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31153 |
| FooDB: | FDB003167 |
| Export Tariff Code: | 2905.19.9090 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| cypress oil replacer | FR | |
| earth | FR | |
| fennel | FR | |
| fern | FR | |
| fir needle oil replacer | FR | |
| fungus | FR | |
| galbanum | FR | |
| patchouli | FR | |
| pea green pea | FL | |
| pine scotch pine | FL/FR | |
| root | FR | |
| rose geranium | FR | |
| truffle | ||
| vetiver | FR | |
| yeast | FL |
Occurrence (nature, food, other): note
| wine Search Picture |
Synonyms:
| carbinol, di-isobutyl- | |
| diisobutyl carbinol | |
| diisobutylcarbinol | |
| diisobutylene carbinol | |
| 2,6- | dimethyl heptan-4-ol |
| 2,6- | dimethyl heptanol-4 |
| 2,6- | dimethylheptan-4-ol |
| 4- | heptanol, 2, 6-dimethyl- |
| 4- | heptanol, 2,6-dimethyl- |
| 4- | hydroxy-2,6-dimethyl heptane |
| sec- | nonyl alcohol |