sedanolide
3-butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone
Identification
| Name | sedanolide |
| IUPAC | 3-(2-methylpropyl)-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one |
| CAS Number | 6415-59-4 |
| FDA UNII | Search |
| Molecular Formula | C12 H18 O2 |
| Molecular Weight | 194.27386000 |
| MDL Number | MFCD00171327 |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow crystals (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 88.00 to 89.00 °C. @ 760.00 mm Hg |
| Boiling Point | 334.00 to 335.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.000124 mmHg @ 25.00 °C. (est) |
| Flash Point | 282.00 °F. TCC ( 138.89 °C. ) |
| logP (o/w) | 2.756 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | refrigerate in tightly sealed containers. |
| Soluble in | water, 1.745 mg/L @ 25 °C (est) |
Organoleptic Properties
| Odor Description | at 100.00 %. |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for sedanolide usage levels up to | not for fragrance use. |
| Recommendation for sedanolide flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
3-
butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone
3-
butyl-3a,4,5,6-tetrahydrophthalide
neo
cnidilide
3-(2-
methylpropyl)-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one
3-(2-
methylpropyl)-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one
tetrahydrobutyl phthalide
PubMed:
Chemistry, technology, and nutraceutical functions of celery (Apium graveolens L.): an overview.
PubMed:
Isolation of the volatile fraction from Apium graveolens L. (Apiaceae) by supercritical carbon dioxide extraction and hydrodistillation: chemical composition and antifungal activity.
PubMed:
Identification of the absorbed components and metabolites in rat plasma after oral administration of Rhizoma Chuanxiong decoction by HPLC-ESI-MS/MS.
PubMed:
[Studies on the chemical constituents of Ligusticum sinense].
PubMed:
[Analysis of volatile oils of Ligusticum chuanxiong Hort. from different geographical origins by comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry].
PubMed:
Identification and comparative quantification of bio-active phthalides in essential oils from si-wu-tang, fo-shou-san, radix angelica and rhizoma chuanxiong.
PubMed:
[Chemical constituents of fresh celery].
PubMed:
GC-MS fingerprints for discrimination of Ligusticum chuanxiong from Angelica.
PubMed:
Flavor enhancement of chicken broth from boiled celery constituents.
PubMed:
Antibacterial activity of components from Lomatium californicum.
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Larvicidal and adulticidal activity of alkylphthalide derivatives from rhizome of Cnidium officinale against Drosophila melanogaster.
PubMed:
HPLC-coupled spectroscopic techniques (UV, MS, NMR) for the structure elucidation of phthalides in Ligusticum chuanxiong.
PubMed:
1H and 13C NMR spectral assignments and conformational analysis of 14 19-nor-neoclerodane diterpenoids.
PubMed:
Study of stereoselective synthesis of (+/-)-neocnidilide.
PubMed:
Simultaneous analysis of seventeen chemical ingredients of Ligusticum chuanxiong by on-line high performance liquid chromatography-diode array detector-mass spectrometry.
PubMed:
Antioxidant, cyclooxygenase and topoisomerase inhibitory compounds from Apium graveolens Linn. seeds.
PubMed:
Separation and identification of the phthalic anhydride derivatives of Liqusticum Chuanxiong Hort by GC-MS, TLC, HPLC-DAD, and HPLC-MS.
PubMed:
Sedanolide, a natural phthalide from celery seed oil: effect on hydrogen peroxide and tert-butyl hydroperoxide-induced toxicity in HepG2 and CaCo-2 human cell lines.
PubMed:
Mosquitocidal, nematicidal, and antifungal compounds from Apium graveolens L. seeds.
PubMed:
[Studies on the chemical components of essential oil from the aerial parts of Ligusticum chuanxiong Hort].
PubMed:
[Studies on the chemical components of the rhizome of Ligusticum sinense Oliv. cv. chaxiong].
PubMed:
Chemoprevention of benzo[a]pyrene-induced forestomach cancer in mice by natural phthalides from celery seed oil.
PubMed:
[Studies on the baths with crude drug: the effects of Senkyu extract as skin penetration enhancer].
PubMed:
cis- and trans-Neocnidilide; 1H- and 13C-NMR Data of Some Phthalides.
PubMed:
The essential oil of Apium graveolens var. secalinum and its cercaricidal activity.