Articles:
5,9-undecadien-2-one, 6,10-dimethyl-, (Z)-
Notes:
None found
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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): 3879-26-3 Nerylacetone
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| CAS Number: | 3879-26-3 |  3D/inchi
|
| FDA UNII: | KZ9PY9FK2P | |
| Nikkaji Web: | J133.547B | |
| Beilstein Number: | 1722276 | |
| MDL: | MFCD00074898 | |
| XlogP3-AA: | 3.70 (est) | |
| Molecular Weight: | 194.31754000 | |
| Formula: | C13 H22 O | |
| NMR Predictor: | Predict (works with chrome 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 |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 90.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.86800 @ 25.00 °C. |
| Refractive Index: | 1.45800 to 1.46800 @ 20.00 °C. |
| Boiling Point: | 80.00 °C. @ 0.03 mm Hg |
| Boiling Point: | 106.00 to 107.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.016000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 225.00 °F. TCC ( 107.22 °C. ) |
| logP (o/w): | 4.129 (est) |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | refrigerate in tightly sealed containers. |
| Soluble in: | |
| alcohol | |
| water, 8.867 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fatty | |
| Odor Strength: | medium |
| fatty metallic | |
| Odor Description: at 100.00 %. | fatty metallic |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Nerylacetone |
Safety Information:
| 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 37/39 - Wear suitable gloves and eye/face protection. | |
| 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: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for neryl acetone usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 1713001 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| (5Z)-6,10-dimethylundeca-5,9-dien-2-one |
References:
| (5Z)-6,10-dimethylundeca-5,9-dien-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 1713001 |
| Pubchem (sid): | 10521272 |
| 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 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB008523 |
| Export Tariff Code: | 2914.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| citrus | ||
| aldehydic nitrile | FR | |
| (E)-4- | decenal | FL/FR |
| earthy | ||
| methyl undecylenate | FL/FR | |
| fatty | ||
| decanol | FL/FR | |
| undecanal propylene glycol acetal | FL/FR | |
| floral | ||
| alpha- | amyl cinnamaldehyde / methyl anthranilate schiff's base | FR |
| benzyl lactate | FL/FR | |
| gardenia concrete | FR | |
| honeysuckle absolute | FR | |
| lily of the valley absolute | FR | |
| mimosa concrete france | FL/FR | |
| nonanol | FL/FR | |
| green | ||
| 3,7- | dimethyl-6-octenoic acid | FL/FR |
| oily | ||
| petal pyranone | FL/FR | |
| For Flavor | ||
| No flavor group found for these | ||
| benzyl lactate | FL/FR | |
| undecanal propylene glycol acetal | FL/FR | |
| floral | ||
| 3,7- | dimethyl-6-octenoic acid | FL/FR |
| mimosa concrete france | FL/FR | |
| oily | ||
| petal pyranone | FL/FR | |
| ripe | ||
| (E)-4- | decenal | FL/FR |
| waxy | ||
| decanol | FL/FR | |
| methyl undecylenate | FL/FR | |
| nonanol | FL/FR | |
Potential Uses:
| coffee | FR | |
| floral | FR |
Occurrence (nature, food, other): note
| basil shoot oil Search Trop Picture | |
| coffee Search PMC Picture | |
| lemon leaf oil Search Trop Picture | |
| petitgrain combava oil @ trace% Data GC Search Picture | |
| petitgrain lemon oil Search Trop Picture |
Synonyms:
| (Z)-6,10- | dimethyl-5,9-undecadien-2-one |
| cis-6,10- | dimethyl-5,9-undecadien-2-one |
| (5Z)-6,10- | dimethylundeca-5,9-dien-2-one |
| cis-6,10- | dimethylundeca-5,9-dien-2-one |
| (Z)- | geranyl acetone |
| (Z)- | neryl acetone |
| nerylacetone | |
| 5,9- | undecadien-2-one, 6,10-dimethyl-, (5Z)- |
| 5,9- | undecadien-2-one, 6,10-dimethyl-, (Z)- |