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(Z)-omega-6-hexadecenlactone
Notes:
pure essence from secretion of preputial follicles of moschus moschiferus l.. Once used in fruit flavouring; its use has been discontinued due to its toxic nature
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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): 123-69-3 Musk Ambrette
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PerfumersWorld Ltd. feeeel... the smell! The one-stop resource for the creative perfumer. No minimum orders. Aroma chemicals, essential oils, isolates, pheremones, absolutes, resinoids, FleuressenceTM key bases, PWx FactorTM, solubilizers, kits, creation systems, workshops, training, distance learning, The PerfumersWorld Perfumer's Studio, The Perfumer’s Formulation Bulletin, perfumery software, bespoke creation, analysis, consultancy, project counselling, trouble-shooting, unperfumed product bases, bottles, smelling strips, scales, distillation, equipment and inspiration! Email: Enquiries Email: Sales Voice: +66(0)2-99-800-80 Fax: +66(0)2-99-800-80 PerfumersWorld 
Facebook Twitter Google+ Youtube Resources Software: Perfumer's Workbook Product(s): 3XA00034 Ambrettolide 5XU07617 Ambrettolide 10% in DPG
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| CAS Number: | 123-69-3 |  3D/inchi
|
| Other(deleted CASRN): | 17598-28-6 | |
| ECHA EINECS - REACH Pre-Reg: | 204-644-5 | |
| FDA UNII: | 095I377U8F | |
| Nikkaji Web: | J10.068D | |
| XlogP3-AA: | 5.50 (est) | |
| Molecular Weight: | 252.39756000 | |
| Formula: | C16 H28 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | CASrn in Register refers to the Z-isomer. Stereoisomeric composition to be specified. | |
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 |
| DG SANTE Food Flavourings: | 10.059 hexadec-7-en-16-olide |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.95500 to 0.96100 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.947 to 7.996 |
| Refractive Index: | 1.48200 to 1.48800 @ 20.00 °C. |
| Boiling Point: | 398.00 to 399.00 °C. @ 760.00 mm Hg |
| Flash Point: | 334.00 °F. TCC ( 167.78 °C. ) |
| logP (o/w): | 5.516 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.5925 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| ambrettolide | |
| isoambrettolide | |
| 12-norambrienolide | |
Organoleptic Properties:
| Odor Type: musk | |
| Odor Strength: | medium |
| musty animal musk ambrette | |
| Odor Description: at 100.00 %. | musty animal musk ambrette |
| 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. |
| Musk Ambrette |
| PerfumersWorld |
| Ambrettolide 10% in DPG |
| PerfumersWorld |
| Ambrettolide
Odor: natural-musk ambrette-seed floral-musk sweet |
| Perfumery Laboratory |
| AMBRETHTOLID IFF 20% DPG (AMBRETTOLIDE IFF 20% DPG)
Odor: The aroma of an ambrette, natural, floral, sweet |
Safety Information:
| 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-mouse LDLo 1600 mg/kg Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985. oral-rat LD50 339 mg/kg Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 1513, 1980. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985. skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 707, 1975. | |
| 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 | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.90 (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): | |
| Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 10, Revision 3 (FGE.10Rev3): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 123-69-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5365703 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| (7Z)-17-oxacycloheptadec-7-en-1-one | |
| Chemidplus: | 0000123693 |
References:
| (7Z)-17-oxacycloheptadec-7-en-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 123-69-3 |
| Pubchem (cid): | 5365703 |
| Pubchem (sid): | 134974739 |
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): | HMDB31086 |
| FooDB: | FDB003091 |
| Typical G.C. | |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| amber | FR | |
| ambergris | FR | |
| ambreine | FR | |
| ambrette oil replacer | FR | |
| angelica | FL/FR | |
| animal | FR | |
| castoreum | FR | |
| cistus | FL/FR | |
| civet | FR | |
| costus | FR | |
| fecal | ||
| fur | ||
| hair | ||
| heather | FR | |
| labdanum | FR | |
| leather | FR | |
| leather russian leather | FR | |
| mastic oil replacer | FR | |
| musk | FR | |
| myrrh | FR | |
| opoponax | FR | |
| spikenard oil replacer | FR | |
| valerian | FL/FR | |
| vetiver | FR |
Occurrence (nature, food, other): note
| not found in nature | |
| abelmoschus moschatus seed oil @ 7.80% Data GC Search Trop Picture |
Synonyms:
| (Z)- | ambrettolide |
| ambrettolide LG | |
| (7Z)-17-oxa | cycloheptadec-7-en-1-one |
| (8Z)-oxa | cycloheptadec-8-en-2-one |
| (Z)-oxa | cycloheptadec-8-en-2-one |
| hexadec-7-en-16-olide | |
| (Z)-omega-6- | hexadecenlactone |
| (Z)-16- | hydroxy-7-hexadecenoic acid lactone |