|
Category:natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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 Type: herbal |
| herbal celery |
| Odor Description:at 100.00 %. herbal celery |
| 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 sedanolide usage levels up to: | | | not for fragrance use.
|
| |
| Recommendation for sedanolide flavor usage levels up to: |
| | not for flavor use.
|
Safety References:
References:
| | 3-(2-methylpropyl)-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 111213 |
| Pubchem (sid): | 135066911 |
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
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 |
Articles:
| 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. |
| PubMed: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. |
|
3D/inchi