| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 502-69-2 |
| ECHA EC Number: | 207-950-7 |
| FDA UNII: | Search |
| CoE Number: | 11205 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | hexahydrofarnesyl acetone |
| InChI : | InChI=1/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3 |
| Std.InChI: | InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3 |
| InChIKey : | WHWDWIHXSPCOKZ-UHFFFAOYAD |
| Std.InChIKey: | WHWDWIHXSPCOKZ-UHFFFAOYSA-N |
| SMILES : | CC(C)CCCC(C)CCCC(C)CCCC(=O)C |
| Molar Refractivity : | 85.34 ± 0.3 cm3 (est) |
| Parachor : | 745.4 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.439 ± 0.02 (est) |
| Surface Tension : | 28.0 ± 3.0 dyne/cm (est) |
| Density : | 0.828 ± 0.06 g/cm3 (est) |
| Polarizability : | 33.83 ± 0.5 10-24cm3 (est) |
| 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: | 07.205 6,10,14-trimethylpentadecan-2-one |
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.83400 to 0.84000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.940 to 6.990 |
| Refractive Index: | 1.44500 to 1.45100 @ 20.00 °C. |
| Boiling Point: | 316.00 to 317.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 125.00 °C. @ 0.10 mm Hg |
| Vapor Pressure: | 0.000400 mmHg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 7.133 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.02335 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Bedoukian Research |
| HEXAHYDROFARNESYL ACETONE ≥98.0%, Kosher Odor: long lasting fresh jasmine, celery Use: Used in jasmine compositions. |
| BOC Sciences |
| For experimental / research use only. |
| HEXAHYDROFARNESYL ACETONE 98.0% |
| Penta International |
| 6,10,14-TRIMETHYLPENTADECAN-2-ONE |
| Reincke & Fichtner |
| 6,10,14-Trimethyl Pentadecanone |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Perhydrofarnesyl Acetone |
| 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. 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 > 2000 mg/kg (BASF, 1988) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| 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 hexahydrofarnesyl acetone usage levels up to: | |||
| 15.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.0073 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1500 (μg/person/day) | ||
| Threshold of Concern: | 540 (μg/person/day) | ||
| Structure Class: | II | ||
| 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): | 3.00000 | 15.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 2.00000 | 10.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 3.00000 | 15.00000 | |
| Processed fruit (04.1): | 2.00000 | 10.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | - | - | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 4.00000 | 20.00000 | |
| Bakery wares (07.0): | 5.00000 | 25.00000 | |
| Meat and meat products, including poultry and game (08.0): | 1.00000 | 5.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 1.00000 | 5.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 2.00000 | 10.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 3.00000 | 15.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 10.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | - | - | |
| Ready-to-eat savouries (15.0): | 5.00000 | 25.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 2.00000 | 10.00000 | |
| 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 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) 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 |
| Flavouring Group Evaluation 7, Revision 3 (FGE.07Rev3): 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 |
| Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): 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 |
| Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): 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):502-69-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :10408 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 6,10,14-trimethylpentadecan-2-one |
| Chemidplus:0000502692 |
| 6,10,14-trimethylpentadecan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 502-69-2 |
| Pubchem (cid): | 10408 |
| Pubchem (sid): | 134978778 |
| Flavornet: | 502-69-2 |
| Pherobase: | View |
| (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: | FDB007640 |
| Export Tariff Code: | 2914.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| basil shoot oil Search Trop Picture | |
| cassie absolute @ 0.26% Data GC Search Trop Picture | |
| celery seed Search Trop Picture | |
| cerastium candidissimum corr. oil greece @ 21.70% Data GC Search Trop Picture | |
| chamomile - up to 2,000 mg/kg Search PMC Picture | |
| champaca concrete @ 0.20% Data GC Search Trop Picture | |
| corn - up to 50,000 mg/kg Search Trop Picture | |
| corn shoot Search Trop Picture | |
| glycosmis pentaphylla (cor.) leaf oil india @ 12.20% Data GC Search Trop Picture | |
| grape - up to 2,000 mg/kg Search Trop Picture | |
| herniaria incana lam. oil greece @ 37.60% Data GC Search Trop Picture | |
| lemon balm - 2000 mg/kg Search Trop Picture | |
| lemon balm - up to 2,000 mg/kg Search Trop Picture | |
| mastic - up to 2,000 mg/kg Search Trop Picture | |
| nepeta betonicifolia c.a. meyer oil turkey @ 0.90% Data GC Search Trop Picture | |
| oregano plant Search Trop Picture | |
| phlomis fruticosa l. flower oil greece @ 3.10% Data GC Search Trop Picture | |
| plumcot fruit Search PMC Picture | |
| roselle calyx Search Trop Picture | |
| salvia lavandulifolia vahl. leaf oil @ 0.10% Data GC Search Trop Picture | |
| spearmint oil Search Trop Picture | |
| tea - up to 2,000 mg/kg Search Trop Picture | |
| witch hazel leaf oil @ 0.70% Data GC Search Trop Picture |
| per | hydrofarnesyl acetone |
| 6,10,14- | trimethyl pentadecan-2-one |
| 6,10,14- | trimethyl pentadecanone |
| 6,10,14- | trimethyl-2-pentadecanone |
| 6,10,14- | trimethylpentadecan-2-one |
