| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 2306-91-4 |
| ECHA EC Number: | 218-982-6 |
| FDA UNII: | Z10YO60833 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | isoamyl decanoate |
| InChI : | InChI=1/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3 |
| Std.InChI: | InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3 |
| InChIKey : | XDOGFYDZGUDBQY-UHFFFAOYAQ |
| Std.InChIKey: | XDOGFYDZGUDBQY-UHFFFAOYSA-N |
| SMILES : | CCCCCCCCCC(=O)OCCC(C)C |
| MDL: | MFCD00053822 |
| Molar Refractivity : | 73.27 ± 0.3 cm3 (est) |
| Parachor : | 651.0 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.436 ± 0.02 (est) |
| Surface Tension : | 29.2 ± 3.0 dyne/cm (est) |
| Density : | 0.865 ± 0.06 g/cm3 (est) |
| Polarizability : | 29.04 ± 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: | 09.598 isopentyl decanoate |
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.85600 to 0.86600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.123 to 7.206 |
| Specific Gravity: | 0.84800 to 0.86500 @ 25.00 °C. |
| Pounds per Gallon - est.: | 7.056 to 7.198 |
| Refractive Index: | 1.42900 to 1.43600 @ 20.00 °C. |
| Boiling Point: | 286.00 to 287.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 124.00 °C. @ 3.00 mm Hg |
| Vapor Pressure: | 0.004000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 8.3 ( Air = 1 ) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 6.234 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.134 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items:note | |
| allyl decanoate | |
| amyl decanoate | |
| benzyl decanoate | |
| butyl decanoate | |
| isobutyl decanoate | |
| citronellyl decanoate | |
| decyl decanoate | |
| ethyl 2-acetyl decanoate | |
| ethyl decanoate | |
| furfuryl decanoate | |
| heptyl decanoate | |
| (Z)-3-hexen-1-yl decanoate | |
| hexyl decanoate | |
| 2-methyl butyl decanoate | |
| methyl decanoate | |
| nonyl decanoate | |
| octyl decanoate | |
| phenethyl decanoate | |
| propyl decanoate | |
| isopropyl decanoate | |
| sulfuryl decanoate | |
| None found |
| Alfrebro |
| ISOAMYL DECANOATE (EU NAT) Odor: Brandy, Rum, Coconut |
| Alfrebro |
| ISOAMYL DECANOATE NATURAL Odor: Brandy, Rum, Coconut |
| BOC Sciences |
| For experimental / research use only. |
| isoAmyl Decanoate |
| Fleurchem |
| isoamyl caprate natural |
| Grau Aromatics |
| iso-AMYL-CAPRATE (iso-AMYL-DECANOATE) NI, Kosher |
| Indukern F&F |
| ISOAMYL CAPRATE Odor: FATTY, BANANA |
| Inoue Perfumery |
| isoAMYL DECANOATE |
| Lluch Essence |
| ISOAMYL CAPRATE |
| Myrazine |
| Isoamyl decanoate Odor: waxy banana fruity sweet cognac green |
| Naturamole |
| isoamyl decanoate 98% natural EU |
| Penta International |
| ISOAMYL CAPRATE NATURAL |
| Penta International |
| ISOAMYL CAPRATE |
| Prodasynth |
| ISOAMYL CAPRATE (> 98%) Odor: BANANA,COGNAC,GREEN,FRUITY,SWEET |
| SRS Aromatics |
| ISO AMYL CAPRATE |
| TCI AMERICA |
| For experimental / research use only. |
| isoAmyl Decanoate >97.0%(GC) |
| Tengzhou Xiang Yuan Aroma Chemicals |
| isoAmyl Decanoate |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 37/38 - Irritating to respiratory system and skin. S 02 - Keep out of the reach of children. 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: | |
| Not determined | |
| 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 isoamyl decanoate usage levels up to: | |||
| 6.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 4.50 (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 | 50.00000 | |
| 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 (05.3): | - | - | |
| 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 | 50.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 100.00000 | |
| 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 | |
| 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): |
| Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):2306-91-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :75320 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-methylbutyl decanoate |
| Chemidplus:0002306914 |
| 3-methylbutyl decanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2306-91-4 |
| Pubchem (cid): | 75320 |
| Pubchem (sid): | 135032427 |
| (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): | HMDB38907 |
| FooDB: | FDB018371 |
| Export Tariff Code: | 2915.90.1800 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| iso | amyl caprate |
| iso | amyl caprate natural |
| iso- | amyl N-decanoate |
| iso- | amyl-caprate (iso-amyl-decanoate) |
| decanoic acid 3-methyl butyl ester | |
| decanoic acid isopentyl ester | |
| decanoic acid, 3-methylbutyl ester | |
| 3- | methyl butyl caprate |
| 3- | methyl butyl decanoate |
| 3- | methylbutyl caprate |
| 3- | methylbutyl decanoate |
| iso | pentyl decanoate |
| None found yet. Try the PubMed Search. |
