| Name: | (4aS,4bS,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene |
| CAS Number: | 21738-16-9 |  3D/inchi
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| FDA UNII: | Search |
| Nikkaji Web: | J112.498F |
| XlogP3-AA: | 7.00 (est) |
| Molecular Weight: | 272.47504000 |
| Formula: | C20 H32 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | white crystalline solid (est) |
| Assay: | 95.00 to 100.00
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| Food Chemicals Codex Listed: | No |
| Melting Point: | 37.00 to 40.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 336.00 to 337.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.000211 mmHg @ 25.00 °C. (est) |
| Flash Point: | 303.00 °F. TCC ( 150.56 °C. )
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| logP (o/w): | 8.630 (est) |
| Soluble in: |
| | alcohol | | | water, 0.001413 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 | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
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Not determined
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
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Not determined
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Safety in Use Information:
| Category: | | flavor and fragrance agents |
| |
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 :443469 |
| National Institute of Allergy and Infectious Diseases:Data |
| (4aS,4bS,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene |
References:
| | (4aS,4bS,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 443469 |
| Pubchem (sid): | 14039 |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| (4aS,4bS,7R,10aS)-7- | ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene | | (-)-iso | pimara-8(14),15-diene | | (13a)- | pimara-8(14),15-diene | | iso | pimara-8(14),15-diene | | (-)-8(14),15-iso | pimaradiene | | (+)- | sandaracopimaradiene | | | sandracopimaradiene | | (4aS,4bS,7R,10aS)-1,1,4a,7- | tetramethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene |
Articles:
| PubMed:Picking sides: distinct roles for CYP76M6 and CYP76M8 in rice oryzalexin biosynthesis. |
| PubMed:Asymmetric total synthesis of ent-sandaracopimaradiene, a biosynthetic intermediate of oryzalexins. |
| PubMed:Active principles of Tetradenia riparia. I. Antimicrobial activity of 8(14),15-sandaracopimaradiene-7 alpha,18-diol. |
| PubMed:Identification of (+)-phyllocladene, (--)-sandaracopimaradiene, and (+)-kaurene as new fungal metabolites from fusicoccin-producing Phomopsis amygdali F6. |
| PubMed:Active principles of Tetradenia riparia; II. Antispasmodic activity of 8(14),15-sandaracopimaradiene-7 alpha,18-diol. |
| PubMed:The synthesis of (-)-sandaracopimaradiene from androstane derivatives. |
| PubMed:Molecular evolution of the substrate specificity of ent-kaurene synthases to adapt to gibberellin biosynthesis in land plants. |
| PubMed:Diterpenes drive Th1 polarization depending on IL-12. |
| PubMed:CYP701A8: a rice ent-kaurene oxidase paralog diverted to more specialized diterpenoid metabolism. |
| PubMed:Xanthine oxidase inhibitory terpenoids of Amentotaxus formosana protect cisplatin-induced cell death by reducing reactive oxygen species (ROS) in normal human urothelial and bladder cancer cells. |
| PubMed:Evident and latent plasticity across the rice diterpene synthase family with potential implications for the evolution of diterpenoid metabolism in the cereals. |
| PubMed:Terpenoids from Guarea rhophalocarpa. |
| PubMed:New phenylpropane and anti-inflammatory diterpene derivatives from Amentotaxus formosana. |
| PubMed:Biosynthesis of cyclic diterpene hydrocarbons in rice cell suspensions: conversion of 9,10-syn-labda-8(17),13-dienyl diphosphate to 9beta-pimara-7,15-diene and stemar-13-ene. |
| PubMed:Functional plasticity of paralogous diterpene synthases involved in conifer defense. |
| PubMed:Mechanism of abietadiene synthase catalysis: stereochemistry and stabilization of the cryptic pimarenyl carbocation intermediates. |
| PubMed:Diterpene cyclases responsible for the biosynthesis of phytoalexins, momilactones A, B, and oryzalexins A-F in rice. |
| PubMed:Abietadiene synthase catalysis: mutational analysis of a prenyl diphosphate ionization-initiated cyclization and rearrangement. |
| PubMed:Wheat rootlet growth inhibition test of Rwandese medicinal plants: active principles of Tetradenia riparia and Diplolophium africanum. |
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