CAS Number551-08-6
SynonymsMFCD00047319; 3-butylidene-3H-isobenzofuran-1-one; Bdph; N-BUTYLIDENEPHTHALIDE; ligusticumlactone; 3-Butylidenephtalide; 3-butylidene-phthalid; (3Z)-3-Butylidene-2-benzofuran-1(3H)-one; 3-Butylidene Phthalide; BUTYLIDENE PHTHALIDE; EINECS 208-991-3
Molecular FormulaC12H12O2
Molecular Weight188.22
Purity≥90.0 (HPLC)%
Density1.2±0.1 g/cm3
Boiling Point139-142 °C/5 mmHg (lit.)
EINECS208-991-3
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 551-08-6 |
| Catalog No. | 2A-9022823 |
| Chinese Name | 3-正丁烯基苯酞； 3-亚丁基-1(3H)-异苯并呋喃酮 |
| Synonyms | MFCD00047319; 3-butylidene-3H-isobenzofuran-1-one; Bdph; N-BUTYLIDENEPHTHALIDE; ligusticumlactone; 3-Butylidenephtalide; 3-butylidene-phthalid; (3Z)-3-Butylidene-2-benzofuran-1(3H)-one; 3-Butylidene Phthalide; BUTYLIDENE PHTHALIDE; EINECS 208-991-3 |
| Molecular Formula | C12H12O2 |
| Molecular Weight | 188.22 |
| Purity | ≥90.0 (HPLC) |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 139-142 °C/5 mmHg (lit.) |
| Storage Condition | Ventilated, cool and dry, away from sources of fir |
| Application | 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified from Ligusticum chuanxiong Hort and has insecticidal activity (LC50 value against Spodoptera litura larvae of |
| EINECS | 208-991-3 |
| MDL Number | MFCD00047319 |
| SMILES | CCC\C=C1/OC(=O)c2ccccc12 |
| InChI | 1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8- |
| InChI Key | WMBOCUXXNSOQHM-FLIBITNWSA-N |
| UNSPSC | 41116107 |
| Hazard Symbols | Transport |
| Risk Codes | R22 |
| MSDS | msds/22823_1_551_08_6.pdf |
| Bioactivity | 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Yi Y, et al. Z-Ligustilide Exerted Hormetic Effect on Growth and Detoxification Enzymes of Spodoptera lituraLarvae. Evid Based Complement Alternat Med. 2018 Jul 2;2018:7104513. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 312.0±35.0 °C at 760 mmHg Molecular Formula C12H12O2 Molecular Weight 188.223 Flash Point 127.9±23.4 °C Exact Mass 188.083725 PSA 26.30000 LogP 3.72 Vapour Pressure 0.0±0.7 mmHg at 25°C Index of Refraction 1.631 |
| Use of | Properties Articles28 Name (Z)-3-butylidenephthalide Synonym More Synonyms 3-Butylidenephthalide Biological Activity Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Yi Y, et al. Z-Ligustilide Exerted Hormetic Effect on Growth and Detoxification Enzymes of Spodoptera lituraLarvae. Evid Based Complement Alternat Med. 2018 Jul 2;2018:7104513. Chemical & Physical Properties Molecular Formula C12H12O2 Exact Mass 188.083725 PSA 26.30000 Index of Refraction 1.631 |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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