| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 6938-45-0 |
| ECHA EC Number: | 230-068-9 |
| FDA UNII: | U7PS33DRSK |
| CoE Number: | 10521 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | benzyl hexanoate |
| InChI : | InChI=1/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3 |
| Std.InChI: | InChI=1S/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3 |
| InChIKey : | HRSXWUSONDBHSP-UHFFFAOYAB |
| Std.InChIKey: | HRSXWUSONDBHSP-UHFFFAOYSA-N |
| SMILES : | CCCCCC(=O)OCC1=CC=CC=C1 |
| MDL: | MFCD00672787 |
| Molar Refractivity : | 60.74 ± 0.3 cm3 (est) |
| Parachor : | 507.5 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.495 ± 0.02 (est) |
| Surface Tension : | 35.2 ± 3.0 dyne/cm (est) |
| Density : | 0.990 ± 0.06 g/cm3 (est) |
| Polarizability : | 24.07 ± 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 |
| JECFA Food Flavoring: | 2061 benzyl hexanoate |
| DG SANTE Food Flavourings: | 09.316 benzyl hexanoate |
| FEMA Number: | 4026 benzyl hexanoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 6938-45-0 ; BENZYL HEXANOATE |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| Benzyl Hexanoate |
| Ernesto Ventós |
| BENZYL HEXANOATE Odor: SWEET,APRICOT,FLORAL,SLIGHT GREEN |
| Inoue Perfumery |
| BENZYL HEXANOATE |
| Parchem |
| benzyl hexanoate |
| Penta International |
| BENZYL HEXANOATE |
| Synerzine |
| Benzyl Caproate |
| WholeChem |
| Benzyl Hexanoate |
| 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 benzyl hexanoate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.75 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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: 21 | |||
| Click here to view publication 21 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 1.00000 | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 1.00000 | 5.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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 (05.3): | - | - | |
| 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 | 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 | |
| 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) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23 View page or View pdf |
| Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (2005) (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 |
| Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf |
| Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| 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 :23367 |
| National Institute of Allergy and Infectious Diseases:Data |
| benzyl hexanoate |
| Chemidplus:0006938450 |
| benzyl hexanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 6938-45-0 |
| Pubchem (cid): | 23367 |
| Pubchem (sid): | 134987528 |
| 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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB32176 |
| FooDB: | FDB009017 |
| Export Tariff Code: | 2915.90.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | Benzyl hexanoate |
| FR | acacia |
| FR | agrumen aldehyde |
| FR | algae |
| FR | amaryllis |
| FR | apple green apple |
| FR | apricot |
| FL | artichoke |
| FL/FR | asafoetida |
| FL | asparagus |
| FR | avocado |
| FR | basil oil replacer |
| FR | boxwood |
| FR | boxwood blossom |
| FR | boxwood berry |
| FL | brandy apricot brandy |
| FL/FR | cajeput |
| FL | carrot |
| FL/FR | carrot seed |
| FR | celery |
| FR | chamomile |
| FL/FR | cilantro |
| FR | clary sage oil replacer |
| FR | clematis |
| FR | cognac |
| FR | cortex |
| FR | costus |
| FR | cucumber |
| FL/FR | currant bud absolute replacer |
| FR | daffodil |
| FR | evergreen |
| FR | fennel |
| FR | fern |
| FR | fig |
| fir | |
| FR | foliage |
| FR | frangipani plumeria |
| FR | galbanum |
| FR | gardenia |
| FR | green |
| FR | green grass |
| FR | green leaf |
| FR | guava |
| FR | hop |
| FR | hyacinth |
| FR | hydrangea |
| FR | ivy |
| FR | jonquil |
| leaf | |
| FR | lotus |
| FL/FR | marjoram |
| FR | mimosa |
| FR | narcissus |
| FR | pansy |
| FL/FR | parsley leaf |
| FL | pear prickly pear |
| FL | pepper bell pepper |
| FL/FR | pine scotch pine |
| FR | privet |
| FR | privet blossom |
| FR | reseda |
| FR | rhubarb |
| FR | rose geranium |
| FL/FR | rose leaf |
| stem | |
| strawberry leaf | |
| FL | vegetable |
| weedy |
| benzyl caproate | |
| benzyl N-hexanoate | |
| hexanoic acid benzyl ester | |
| hexanoic acid phenyl methyl ester | |
| hexanoic acid, phenylmethyl ester | |
| phenylmethyl hexanoate |
| None found yet. Try the PubMed Search. |
