Articles:
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3,7-dimethyloctanal
Notes:
Used as a food additive [EAFUS] 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): 5988-91-0 Tetrahydrocitral
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Lluch Essence S.L. A family company dedicated to sales and distribution Flexibility, availability, price and quality. Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world. Email: Info Voice: 34 93 379 38 49 Fax: 34 93 370 65 04 Linkedin Product(s): TETRAHYDROCITRAL
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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): 136848 TETRAHYDROCITRAL
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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): 20-13500 TETRAHYDROCITRAL
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Taytonn ASCC Pte Ltd Supplying Asia Pacific We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service. Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers. Email: Info Email: Sales Voice: + 65 - 6861 8113 Fax: + 65 - 6861 8115 Linkedin Product(s): Citrose
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| CAS Number: | 5988-91-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 227-810-9 | |
| FDA UNII: | F32WFZ5HGW | |
| Nikkaji Web: | J37.627B | |
| Beilstein Number: | 1721497 | |
| MDL: | MFCD00015403 | |
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 156.26860000 | |
| Formula: | C10 H20 O | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
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: | 2176 3,7-dimethyloctanal |
| FEMA Number: | 4348 3,7-dimethyloctanal |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 5988-91-0 ; 3,7-DIMETHYLOCTANAL |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.08500 to 1.09500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.028 to 9.111 |
| Refractive Index: | 1.45100 to 1.45700 @ 25.00 °C. |
| Boiling Point: | 197.00 to 198.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.369000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 5.4 ( Air = 1 ) |
| Flash Point: | 165.00 °F. TCC ( 73.89 °C. ) |
| logP (o/w): | 3.659 (est) |
| Soluble in: | |
| alcohol | |
| water, 13 mg/L @ 20 °C (exp) | |
| Stability: | |
| bath salts | |
| cream | |
| non-discoloring in most media | |
| powder | |
| shampoo | |
| soap | |
Organoleptic Properties:
| Odor Type: citrus | |
| citrus lemon green aldehydic | |
| Odor Description: at 10.00 % in dipropylene glycol. | citrus lemon green aldehydic |
| Odor and/or flavor descriptions from others (if found). | |
| Givaudan | |
| Tetrahydro Citral | |
| Odor Description: | Citrus, Fresh, Aldehydic, Sweet Tetrahydro Citral enhances the citrus effect in colognes. More stable than Citral, it can partially replace it in soap and detergent formulas. |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Tetrahydrocitral |
| Givaudan |
| Tetrahydro Citral
Odor: Citrus, Fresh, Aldehydic, Sweet Use: Tetrahydro Citral enhances the citrus effect in colognes. More stable than Citral, it can partially replace it in soap and detergent formulas. |
| Lluch Essence |
| TETRAHYDROCITRAL |
| Moellhausen |
| TETRAHYDROCITRAL |
| Penta International |
| TETRAHYDROCITRAL |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 3,7-dimethyloctanal |
| Taytonn ASCC |
| Citrose
Odor: Bitter, Citrus, Fresh, Green |
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: | |
|
oral-rat LD50 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 119S, 1992. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 4400 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 119S, 1992. | |
| 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 | |||
| Recommendation for tetrahydrocitral usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| 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: | - | - | |
| beverages(nonalcoholic): | 0.10000 | 0.50000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | 0.20000 | 1.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.50000 | 2.50000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.50000 | 2.50000 | |
| jams / jellies: | 0.20000 | 1.00000 | |
| 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:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 5988-91-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 110747 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 3,7-dimethyloctanal | |
| Chemidplus: | 0005988910 |
References:
| Leffingwell: | Chirality or Article |
| 3,7-dimethyloctanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 5988-91-0 |
| Pubchem (cid): | 110747 |
| Pubchem (sid): | 135067290 |
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): | HMDB32241 |
| FooDB: | FDB016951 |
| Export Tariff Code: | 2912.29 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| abronia | FR | |
| acacia | FR | |
| agrumen aldehyde | FR | |
| aldehydic | FR | |
| apple | FR | |
| apple green apple | FR | |
| apricot | FR | |
| basil oil replacer | FR | |
| bergamot | FR | |
| blackberry | FR | |
| blueberry | FR | |
| cedrat | FR | |
| cherry | FR | |
| citronella | FR | |
| citrus | FR | |
| coconut tropical coconut | FR | |
| cologne | FR | |
| colonia | FR | |
| curacao | FL | |
| eucalyptus oil replacer | FR | |
| fern | FR | |
| fir needle oil replacer | FR | |
| floral | FR | |
| fresh and clean | FR | |
| geranium | FR | |
| ginger | FR | |
| grapefruit | FR | |
| green | FR | |
| lemon | FR | |
| lemongrass | FR | |
| lime | FR | |
| linden flower | FR | |
| litsea cubeba | FL/FR | |
| mace | FR | |
| magnolia | FR | |
| mandarin | FR | |
| melon | FR | |
| neroli | FR | |
| orange | FR | |
| orange blossom | FR | |
| passion fruit | FR | |
| peach | FR | |
| petitgrain | FR | |
| petitgrain lemon petitgrain | FL/FR | |
| pineapple | FR | |
| plum | FR | |
| raspberry | FR | |
| rhubarb | FR | |
| rose | FR | |
| rose red rose | FR | |
| rose white rose | FR | |
| sassafras | FR | |
| strawberry | FR | |
| tangerine | FR | |
| topnotes | ||
| vanilla | FR | |
| verbena | FR | |
| zibeline | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| dihydro citronellal | |
| dihydrocitronellal | |
| 6,7- | dihydrocitronellal |
| 3,7- | dimethyl octanal |
| 3,7- | dimethyl-1-octanal |
| 3,7- | dimethyloctanal |
| octanal, 3,7-dimethyl- | |
| tetrahydro citral | |
| tetrahydrocitral | |
| tetrahydrogeranial |