| Name: | (1aR,4R,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol |
| CAS Number: | 577-27-5 |  3D/inchi
|
| FDA UNII: | 99XJ3YS21U |
| Nikkaji Web: | J21.647J |
| XlogP3-AA: | 3.70 (est) |
| Molecular Weight: | 222.37142000 |
| Formula: | C15 H26 O |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
Category:natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless crystals (est) |
| Assay: | 90.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.90940 @ 0.00 °C.
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| Refractive Index: | 1.46670 @ 0.00 °C.
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| Melting Point: | 104.00 to 105.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 293.00 to 294.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.000177 mmHg @ 25.00 °C. (est) |
| Flash Point: | 254.00 °F. TCC ( 123.33 °C. )
|
| logP (o/w): | 4.838 (est) |
| Soluble in: |
| | alcohol | | | water, 11.98 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
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: | | natural substances and extractives |
| Recommendation for ledol usage levels up to: | | | not for fragrance use.
|
| |
| Recommendation for ledol flavor usage levels up to: |
| | not for flavor use.
|
Safety References:
| 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 :92812 |
| National Institute of Allergy and Infectious Diseases:Data |
| (1aR,4R,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol |
| Chemidplus:0000577275 |
References:
| | (1aR,4R,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 92812 |
| Pubchem (sid): | 135257348 |
| Pherobase: | View |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 1H- | cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, (1aR,4R,4aS,7R,7aS,7bS)- | | (1aR- (1aalpha,4alpha,4abeta, 7alpha,7abeta,7balpha))- | decahydro-1,1,4,7-tetramethyl-1H-cycloprop(e)azulen-4-ol | | [1aR-(1aa,4a,4ab,7a,7ab,7ba)]- | decahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulen-4-ol | | (+)- | ledol | | | ledum camphor | | | porschcamphor | | (1aR,4R,4aS,7R,7aS,7bS)-1,1,4,7- | tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol |
Articles:
| PubMed:Supercritical CO2 extract and essential oil of aerial part of Ledum palustre L. - Chemical composition and anti-inflammatory activity. |
| PubMed:Labrador tea - the aromatic beverage and spice: a review of origin, processing and safety. |
| PubMed:[GC/MS-based dynamic analysis of Eucalyptus camaldulensis extract on correlation of chromatography-activity against Oncomelania hupensis]. |
| PubMed:Composition of the essential oil of the Rhododendron tomentosum Harmaja from Estonia. |
| PubMed:Chemical and biological evaluation of Hypericum maculatum Crantz essential oil. |
| PubMed:Induction of defensive response in Eucalyptus globulus plants and its persistence in vegetative propagation. |
| PubMed:Composition and evaluation of the anti-inflammatory and anticancer activities of the essential oil from Annona sylvatica A. St.-Hil. |
| PubMed:Composition of seed essential oils of Rhododendron tomentosum. |
| PubMed:Chemical composition and herbicidal activity of the essential oil from a Cistus ladanifer L. population from Spain. |
| PubMed:Chemical composition, antinociceptive and anti-inflammatory effects in rodents of the essential oil of Peperomia serpens (Sw.) Loud. |
| PubMed:Intramolecular Diels-Alder reactions using chiral ruthenium Lewis acids and application in the total synthesis of ent-ledol. |
| PubMed:Essential oil from aerial parts of of Betonica grandiflora Willd. from Iran. |
| PubMed:Chemical composition and mosquito larvicidal activities of Salvia essential oils. |
| PubMed:Seasonal variation, chemical composition, and analgesic and antimicrobial activities of the essential oil from leaves of Tetradenia riparia (Hochst.) Codd in southern Brazil. |
| PubMed:Trypanocidal and antileukaemic effects of the essential oils of Hagenia abyssinica, Leonotis ocymifolia, Moringa stenopetala, and their main individual constituents. |
| PubMed:Birch (Betula spp.) leaves adsorb and re-release volatiles specific to neighbouring plants--a mechanism for associational herbivore resistance? |
| PubMed:Chemical and genetic relationships among sage ( Salvia officinalis L.) cultivars and Judean sage ( Salvia judaica Boiss.). |
| PubMed:Biotransformation of terpenoids by mammals, microorganisms, and plant-cultured cells. |
| PubMed:Leaf surface sesquiterpene alcohols of the potato (Solanum tuberosum) and their influence on colorado beetle (Leptinotarsa decemlineata Say) feeding. |
| PubMed:[GC-MS analysis of essential oils from Radix Angelicae Pubescentis]. |
| PubMed:Volatile oil from Guarea macrophylla ssp. tuberculata: seasonal variation and electroantennographic detection by Hypsipyla grandella. |
| PubMed:Chemical composition of the essential oils of Clausena lansium from Hainan Island, China. |
| PubMed:The stereochemistry of ledol from Renealmia chrysotrycha: an NMR study. |
| PubMed:Sesquiterpenoids and diterpenoids from the Chilean liverwort Lepicolea ochroleuca. |
| PubMed:A New Norlupene from the Leaves of Melaleuca leucadendron |
| PubMed:Composition and antimicrobial activity of the essential oil of Cistus creticus subsp. eriocephalus. |
| PubMed:Bridged to Fused Ring Interchange. Methodology for the Construction of Fused Cycloheptanes and Cyclooctanes. Total Syntheses of Ledol, Ledene, and Compressanolide. |
| PubMed:Composition of essential oil of Ledum palustre. |
| PubMed:Chemical studies of marine invertebrates. XXVII. On the absolute configuration of aromadendrane sesquiterpenes from the soft coral Cespitularia aff. subviridis. |
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