| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 20307-84-0 |
| FDA UNII: | Search |
| CoE Number: | 10996 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | delta-elemene |
| InChI : | InChI=1/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3/t14-,15-/m0/s1 |
| Std.InChI: | InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3/t14-,15-/m0/s1 |
| InChIKey : | MXDMETWAEGIFOE-GJZGRUSLBU |
| Std.InChIKey: | MXDMETWAEGIFOE-GJZGRUSLBU |
| SMILES : | CC(C)C1=C[C@H]([C@@](CC1)(C)C=C)C(=C)C |
| Molar Refractivity : | 69.90 ± 0.3 cm3 (est) |
| Parachor : | 551.9 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.507 ± 0.02 (est) |
| Surface Tension : | 30.6 ± 3.0 dyne/cm (est) |
| Density : | 0.870 ± 0.06 g/cm3 (est) |
| Polarizability : | 27.71 ± 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: | 01.039 delta-elemene |
| Appearance: | colorless to yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.85600 to 0.86200 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.123 to 7.173 |
| Refractive Index: | 1.48000 to 1.48600 @ 20.00 °C. |
| Boiling Point: | 254.00 to 255.00 °C. @ 760.00 mm Hg (est) |
| Boiling Point: | 107.00 °C. @ 10.00 mm Hg |
| Vapor Pressure: | 0.028000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 211.00 °F. TCC ( 99.50 °C. ) (est) |
| logP (o/w): | 6.446 (est) |
| Soluble in: | |
| water, 0.01368 mg/L @ 25 °C (est) | |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| 4-Ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
| 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 delta-elemene usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (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 (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 4.00000 | 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): |
| Flavouring Group Evaluation 25, (FGE.25)[1] - Aliphatic and aromatic hydrocarbons from chemical group 31 - 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 78 (FGE.78)[1] - Consideration of Aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25 - Scientific Opinion of the Panel on Food Additives,Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 25Rev1: Aliphatic and aromatic hydrocarbons from chemical group 31 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 78, Revision 1 (FGE.78Rev1): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25Rev2 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 25, Revision 2 (FGE.25Rev2): Aliphatic and aromatic hydrocarbons from chemical group 31 View page or View pdf |
| Scientific opinion on Flavouring Group Evaluation 25, Revision 3 (FGE.25Rev3): Aliphatic hydrocarbons from chemical group 31 View page or View pdf |
| EPI System: View |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :12004383 |
| National Institute of Allergy and Infectious Diseases:Data |
| (3S,4R)-4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene |
| Chemidplus:0020307840 |
| (3S,4R)-4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 12004383 |
| Pubchem (sid): | 135045775 |
| Flavornet: | 20307-84-0 |
| 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: | FDB006578 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| None Found |
| angelica root oil @ 0.42% Data GC Search Trop Picture | |
| anise seed Search Trop Picture | |
| baccharis coridifolia oil argentina @ 0.10% Data GC Search Trop Picture | |
| basil oil CO2 sweet @ trace% Data GC Search Trop Picture | |
| basil oil sweet @ trace% Data GC Search Trop Picture | |
| bergamot oil @ 0.000-0.007% Data GC Search Trop Picture | |
| boronia absolute @ 0.01% Data GC Search Trop Picture | |
| cajuput oil vietnam @ trace% Data GC Search Trop Picture | |
| calamus leaf oil @ 0.21% Data GC Search Trop Picture | |
| calamus root oil mongolia @ 0.50% Data GC Search Trop Picture | |
| cananga leaf oil @ 1.1% Data GC Search Trop Picture | |
| cassis bud oil @ trace-0.24% Data GC Search Trop Picture | |
| cedrela wood oil @ 0.44% Data GC Search Trop Picture | |
| chamomile oil morocco @ 0.70% Data GC Search Trop Picture | |
| citronella oil ceylon @ 0.03% Data GC Search Trop Picture | |
| citronella oil china @ 0.01% Data GC Search Trop Picture | |
| citronella oil java @ 0.01% Data GC Search Trop Picture | |
| clary sage oil spain @ trace% Data GC Search Trop Picture | |
| croton cajucara benth. leaf oil brazil @ 0.30% Data GC Search Trop Picture | |
| croton flavens l. (welensali) leaf oil curacao @ 0.30% Data GC Search Trop Picture | |
| cubeb oil @ 0.10% Data GC Search Trop Picture | |
| curcuma amada roxb. rhizome oil india @ 0.20% Data GC Search Trop Picture | |
| curry wood leaf oil australia @ 0.40% Data GC Search Trop Picture | |
| ginger root oil china @ 0.10% Data GC Search Trop Picture | |
| ginger root oil CO2 extract australia @ 0.23% Data GC Search Trop Picture | |
| guava leaf oil cuba @ trace% Data GC Search Trop Picture | |
| guava oil Search Trop Picture | |
| jambu flower oil brazil @ 0.30% Data GC Search Trop Picture | |
| kachur oil @ 0.20% Data GC Search Trop Picture | |
| lavender oil france @ trace% Data GC Search Trop Picture | |
| lime oil distilled mexico @ 0.06% Data GC Search Trop Picture | |
| lime oil distilled peru @ 0.05% Data GC Search Trop Picture | |
| lime oil expressed florida @ 0.1% Data GC Search Trop Picture | |
| mandarin fruit Search Trop Picture | |
| mandarin fruit juice - trace amount Search Trop Picture | |
| mandarin oil uruguay @ 0.01% Data GC Search Trop Picture | |
| marjoram oil sweet cuba @ trace% Data GC Search Trop Picture | |
| marjoram oil sweet cyprus @ trace-0.20% Data GC Search Trop Picture | |
| marjoram oil sweet turkey @ 0.03-0.04% Data GC Search Trop Picture | |
| marsypianthes chamaedrys (vahl) kuntze oil brazil @ 2.50% Data GC Search Trop Picture | |
| mikan peel oil @ trace% Data GC Search Trop Picture | |
| mikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.50% Data GC Search Trop Picture | |
| ocimum gratissimum l. oil brazil @ 0.17% Data GC Search Trop Picture | |
| orange peel oil bitter china @ 0.01% Data GC Search Trop Picture | |
| patchouli oil china @ 0.04% Data GC Search Trop Picture | |
| pepper black pepper fruit Search Trop Picture | |
| pepper black pepper fruit oil Search Trop Picture | |
| pepper oil black india @ 0.10% Data GC Search Trop Picture | |
| phlomis fruticosa l. flower oil greece @ 0.20% Data GC Search Trop Picture | |
| phoebe oil brazil @ 0.06% Data GC Search Trop Picture | |
| piper cernum vell. var. cernum yuncker leaf oil brazil @ 0.20% Data GC Search Trop Picture | |
| polyalthia australis (benth.) jessup leaf oil australia @ 0.40% Data GC Search Trop Picture | |
| ravintsara leaf oil @ 0.55%% Data GC Search Picture | |
| salvia atropatana bunge oil iran @ 1.10% Data GC Search Trop Picture | |
| salvia officinalis seed oil tunisia @ 0.07% Data GC Search Trop |
| 1,3,6- | elematriene |
| (3S,4R)-4- | ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene |
| (3R-(E))-4- | ethenyl-4-methyl-3-(1-methyl ethenyl)-1-(1-methyl ethyl) cyclohexene |
| (3R-trans)-4- | ethenyl-4-methyl-3-(1-methyl ethenyl)-1-(1-methyl ethyl) cyclohexene |
| (1S,2R)-(-)-2-iso | propenyl-1-vinyl-p-menth-3-ene |
| (1S,2R)-(-)-2-iso | propenyl-1-vinyl-para-menth-3-ene |
