Articles:
1,2,3,3a, 3bbeta, 4,5,6,6abeta, 6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylene cyclobuta(1,2:3,4)dicyclopentene
Notes:
Flavouring agent
-
Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
-
| CAS Number: | 5208-59-3 |  3D/inchi
|
| Other(deleted CASRN): | 13833-27-7 | |
| FDA UNII: | KIZ51R7NTL | |
| Nikkaji Web: | J15.463F | |
| CoE Number: | 11931 | |
| XlogP3-AA: | 4.70 (est) | |
| Molecular Weight: | 204.35628000 | |
| Formula: | C15 H24 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | EFSA conclusion: additional data required (EFSA, 2009j). MSDI based on USA production figure. Stereoisomeric composition specified by CASrn and name in Register. According to JECFA: Min. assay value is "96 %" and "may include traces of other C15H24 compounds (cadinene, guaiene, farnesene)". Composition of mixture to be specified. Stereoisomeric composition specified by CASrn and name in Register. According to JECFA: Min. assay value is ”96 %” and ”may include traces of other C15H24 compounds (cadinene, guaiene, farnesene)”. 4% consist of C15H24 compounds. | |
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 |
| JECFA Food Flavoring: | 1345 beta-bourbonene |
| DG SANTE Food Flavourings: | 01.024 beta-bourbonene |
| FDA Mainterm (SATF): | 5208-59-3 ; BETA-BOURBONENE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.89900 to 0.90800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.481 to 7.555 |
| Refractive Index: | 1.50000 to 1.50700 @ 20.00 °C. |
| Boiling Point: | 121.00 °C. @ 11.00 mm Hg |
| Boiling Point: | 255.00 to 256.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.025000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 220.00 °F. TCC ( 104.44 °C. ) |
| logP (o/w): | 6.128 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.1383 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: herbal | |
| Odor Strength: | medium |
| herbal woody floral balsamic | |
| Odor Description: at 100.00 %. | herbal woody floral balsamic |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| 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 | |||
| Recommendation for beta-bourbonene usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.20 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
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): | |
| 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 | |
| Statement on List of Representative Substances for Testing.
The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 78, Revision 2 (FGE.78Rev2): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic hydrocarbons evaluated by EFSA in FGE.25Rev3 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 : | 62566 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (1S,2R,6S,7R,8S)-1-methyl-5-methylidene-8-propan-2-yltricyclo[5.3.0.02,6]decane | |
| Chemidplus: | 0005208593 |
References:
| (1S,2R,6S,7R,8S)-1-methyl-5-methylidene-8-propan-2-yltricyclo[5.3.0.02,6]decane | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 62566 |
| Pubchem (sid): | 135020870 |
| Flavornet: | 5208-59-3 |
| Pherobase: | View |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | HMDB38155 |
| FooDB: | FDB017384 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| basil oil sweet poland @ 0.70% Data GC Search Trop Picture | |
| basil shoot oil Search Trop Picture | |
| bergamot plant wild Search Trop Picture | |
| calamintha nepeta (l.) savi subsp. glandulosa oil greece @ trace% Data GC Search Trop Picture | |
| calamus leaf oil @ 0.05% Data GC Search Trop Picture | |
| carrot leaf oil @ 0.99% Data GC Search Trop Picture | |
| chamomile garden chamomile plant Search Trop Picture | |
| citronella oil ceylon @ 0.18% Data GC Search Trop Picture | |
| citronella oil china @ 0.12% Data GC Search Trop Picture | |
| citronella oil java @ 0.10% Data GC Search Trop Picture | |
| clary sage oil france @ trace% Data GC Search Trop Picture | |
| clary sage oil greece @ 0.15% Data GC Search Trop Picture | |
| clary sage oil spain @ 0.27% Data GC Search Trop Picture | |
| clove leaf Search Trop Picture | |
| cornmint oil Search Trop Picture | |
| croton cajucara benth. leaf oil brazil @ 2.00% Data GC Search Trop Picture | |
| croton flavens l. (welensali) leaf oil curacao @ 0.30% Data GC Search Trop Picture | |
| curry wood leaf oil australia @ 0.20% Data GC Search Trop Picture | |
| eucalyptus globulus bud oil @ 1.57% Data GC Search Trop Picture | |
| eucalyptus globulus fruit oil @ 2.40% Data GC Search Trop Picture | |
| ferula cupularis stem oil @ 2.70% Data GC Search Trop Picture | |
| geranium leaf oil india @ 0.45% Data GC Search Trop Picture | |
| geranium oil bourbon @ 0.43% Data GC Search Trop Picture | |
| geranium oil rwanda @ 0.54% Data GC Search Trop Picture | |
| geranium petiole oil india @ 0.08% Data GC Search Trop Picture | |
| geranium rose-scented oil (pelargonium spp.) cuba @ 0.80% Data GC Search Trop Picture | |
| geranium stem oil india @ 0.15% Data GC Search Trop Picture | |
| ginger Search Trop Picture | |
| horsemint shoot Search Trop Picture | |
| hyptis spicigera lam. oil mali @ 0.10-0.20% Data GC Search Trop Picture | |
| hyssop oil @ 1.2% Data GC Search Trop Picture | |
| lallemantia peltata (l.) fisch. et mey. oil turkey @ 6.90% Data GC Search Trop Picture | |
| lavender oil spike spain @ 0.19% Data GC Search Trop Picture | |
| lemon balm Search Trop Picture | |
| lemon balm shoot Search Trop Picture | |
| lemon verbena oil morocco @ 0.8% Data GC Search Trop Picture | |
| lemon verbena oil turkey @ 0.56% Data GC Search Trop Picture | |
| marjoram oil sweet cuba @ 0.10% Data GC Search Trop Picture | |
| marsypianthes chamaedrys (vahl) kuntze oil brazil @ 1.40% Data GC Search Trop Picture | |
| melissa oil slovak republic @ 0.06% Data GC Search Trop Picture | |
| mikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.80% Data GC Search Trop Picture | |
| nepeta betonicifolia c.a. meyer oil turkey @ 2.90% Data GC Search Trop Picture | |
| nepeta racemosa lam. oil iran @ 0.50% Data GC Search Trop Picture | |
| oregano plant Search Trop Picture | |
| oregano shoot oil Search Trop Picture | |
| orthodon dianthera maxim. oil vietnam @ trace% Data GC Search Trop Picture | |
| pennyroyal oil Search Trop Picture | |
| pennyroyal oil @ trace% Data GC Search Trop Picture | |
| pennyroyal oil cuba @ 0.10% Data GC Search Trop Picture | |
| peppermint oil Search Trop Picture | |
| peppermint oil CO2 extract @ 0.70% Data GC Search Trop Picture | |
| phlomis fruticosa l. flower oil greece @ 2.60% Data GC Search Trop Picture | |
| pine needle oil dwarf @ 0.13% Data GC Search Trop Picture | |
| pinus sylvestris l. needle oil estonia @ 0.10% Data GC Search Trop Picture | |
| plectranthus glandulosus hook f. leaf oil cameroon @ trace% Data GC Search Trop Picture | |
| polyalthia australis (benth.) jessup leaf oil australia @ 0.30% Data GC Search Trop Picture | |
| prangos uloptera dc. oil iran @ 0.40% Data GC Search Trop Picture | |
| prangos uloptera dc. seed oil iran @ 0.90% Data GC Search Trop Picture | |
| protium heptaphyllum (aubl.) march resin oil brazil @ 0.30% Data GC Search Trop Picture | |
| ravintsara leaf oil @ 0.08%% Data GC Search Picture | |
| rosemary Search Trop Picture | |
| sage clary sage Search Trop Picture | |
| sage leaf oil Search Trop Picture | |
| sage oil albania @ trace% Data GC Search Trop Picture | |
| salvia sclarea oil @ 0.94% Data GC Search Trop Picture | |
| salvia sclarea seed oil tunisia @ 0.35% Data GC Search Trop Picture | |
| salvia verbenaca seed oil tunisia @ 1.73% Data GC Search Trop Picture | |
| satureja viminea l. oil costa rica @ trace% Data GC Search Trop Picture | |
| savory winter savory plant Search Trop Picture | |
| spearmint leaf Search Trop Picture | |
| spearmint oil Search Trop Picture | |
| spearmint oil america @ 0.91-1.24% Data GC Search Trop Picture | |
| stachys recta l. oil serbia @ 2.90% Data GC Search Trop Picture | |
| tansy oil canada @ 0.10% Data GC Search Trop Picture | |
| thyme oil red spain @ trace% Data GC Search Trop Picture | |
| thyme oil wild or creeping france @ 0.24% Data GC Search Trop Picture | |
| thymus richardii pers. subsp. nitidus (guss.) jalas oil italy @ 0.60% Data GC Search Trop Picture | |
| xylopia aromatica (lam.) mart. leaf oil cuba @ 0.10% Data GC Search Trop Picture | |
| zanthoxylum bracchyacanthum l. leaf oil australia @ trace% Data GC Search Trop Picture |
Synonyms:
| .beta.- | bourbonene |
| (-)-beta- | bourbonene |
| 4(15)- | bourbonene |
| b- | bourbonene |
| cyclobuta[1,2:3,4]dicyclopentene, 1,2,3,3a,3bβ,4,5,6,6aβ,6ba-decahydro-1a-isopropyl-3aa-methyl-6-methylene- | |
| cyclobuta[1,2:3,4]dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, [1S-(1a,3aa,3bβ,6aβ,6ba)]- | |
| 1,2,3,3a, 3bbeta, 4,5,6,6abeta, 6balpha- | decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylene cyclobuta(1,2:3,4)dicyclopentene |
| (1S- (1alpha, 3aalpha, 3bbeta, 6abeta, 6balpha))- | decahydro-3a-methyl-6-cyclobuta(1,2:3,4)dicyclopentene |
| decahydroisopropyl methyl methylene cyclobuta(1,2:3,4)dicyclopentene | |
| (1S,2R,6S,7R,8S)-1- | methyl-5-methylidene-8-propan-2-yltricyclo[5.3.0.02,6]decane |