3-butylidene-phthalid
Butylidene phthalide
CAS: 551-08-6
Molecular Formula: C12H12O2
3-butylidene-phthalid - Names and Identifiers
| Name | Butylidene phthalide |
| Synonyms | FEMA 3333 BUTYLIDENE PHTHALIDE Butylidene phthalide 3-butylidene-phthalid N-BUTYLIDENEPHTHALIDE n-Butylidenephthalide 3-BUTYLIDENEPHTHALIDE 3-butylidene-1(3h)-isobenzofuranon 3-butylidene-1(3H)-Isobenzofuranone 3-butylidene-2-benzofuran-1(3H)-one 1(3H)-Isobenzofuranone,3-butylidene- (3E)-3-butylidene-2-benzofuran-1(3H)-one (3Z)-3-butylidene-2-benzofuran-1(3H)-one |
| CAS | 551-08-6 |
| EINECS | 208-991-3 |
| InChI | InChI=1/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+ |
| InChIKey | WMBOCUXXNSOQHM-FLIBITNWSA-N |
3-butylidene-phthalid - Physico-chemical Properties
| Molecular Formula | C12H12O2 |
| Molar Mass | 188.22 |
| Density | 1.103 g/mL at 25 °C (lit.) |
| Melting Point | 82.5°C |
| Boling Point | 139-142 °C/5 mmHg (lit.) |
| Specific Rotation(α) | 0°(c=0.12，chloroform) |
| Flash Point | >230°F |
| JECFA Number | 1170 |
| Solubility | Soluble in methanol, ethanol, DMSO and other organic solvents. |
| Vapor Presure | 0.000545mmHg at 25°C |
| Appearance | Colorless oil |
| Color | Colourless to Yellow |
| BRN | 5145 |
| Storage Condition | Refrigerator |
| Refractive Index | n20/D 1.577(lit.) |
| MDL | MFCD00047319 |
| Physical and Chemical Properties | Colorless paste, soluble in methanol, ethanol, DMSO and other organic solvents, derived from Ligusticum chuanxiong, angelica. |
| In vitro study | 3-Butylidenephthalide (Butylidenephthalide) abrogates the myofibroblasts activation and mesenchymal transdifferentiation in oral submucous fibrosis. |
3-butylidene-phthalid - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 22 - Harmful if swallowed |
| Safety Description | 23 - Do not breathe vapour. |
| WGK Germany | 2 |
| RTECS | TI3692500 |
| TSCA | Yes |
3-butylidene-phthalid - Reference
| Reference Show more | 1. Shi Haipei, Bao Beihua, Huang Shengliang, Wang Guoqiang, left Wu Peng, Yan Hui, Zhang Li. Study on fingerprint and pattern recognition of Angelica sinensis decoction pieces [J]. Shi Zhen, National Medicine, 2019,30(02):364-368. 2. Li Qingqing, Zhang Jifen. Determination of 14 components in guanxinning [J]. Suyan science & technology 2019 046(006):33-35. 3. Zhang, natiing, et al. "Pharmacokinetics-based identification of potential therapeutic overhead from XueBiJing, a Chinese herb injection used in sepsis management." Drug Metabolism and Disposition 46.6 (2018): 823-834.DOI: https://doi.org/10.1124/dmd.11 4. [IF=6.529] Yan He et al."Pharmacokinetics and biotransformation investigation in beagle dog of active compounds from naoxintong capsule."Biomed Pharmacother. 2021 Jan;133:110940 |
3-butylidene-phthalid - Reference Information
| biological activity | 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified from Ligusticum chuanxiong Hort, with insecticidal activity (LC50 value for Spodoptera litura larvae is 1.56 mg/g). |
| in vitro study | 3-Butylidenephthalide (Butylidenephthalide) abrogates the myofibroblasts activation and mesenchymal transdifferentiation in oral submucous fibrosis. |
| chemical properties | colorless paste, soluble in methanol, ethanol, DMSO and other organic solvents, derived from Ligusticum chuanxiong, angelica. |
| use | butenylphthalide has anti-arrhythmia and treatment of senile dementia. A phthalide compound with biological activity. |
| category | toxic substances |
| acute toxicity | oral-rat LD50: 1850 mg/kg |
| stimulation data | skin-rabbit 500 mg/24 hours mild |
| flammability hazard characteristics | thermal decomposition discharges toxic and spicy smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | water, dry powder, carbon dioxide, foam |
| EPA chemical substance information | The information is: offered by ofmpub.epa.gov (external link) |
Last Update：2024-04-10 22:29:15
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