Phthalide
- CAS No.
- 87-41-2
- Chemical Name:
- Phthalide
- Synonyms
- Isobenzofuran-1(3H)-one;1(3H)-ISOBENZOFURANONE;ISOBENZOFURANONE;2-Benzofuran-1(3H)-one;Phthalid;PHTHALIDE;Phthalanone;AKOS 243-03;OXOPHTHALANE;Phthalide99%
- CBNumber:
- CB3245950
- Molecular Formula:
- C8H6O2
- Molecular Weight:
- 134.13
- MDL Number:
- MFCD00005906
- MOL File:
- 87-41-2.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 71-74 °C (lit.) |
|---|---|
| Boiling point | 290 °C (lit.) |
| Density | 1.1 |
| refractive index | 1.5360 (estimate) |
| FEMA | 4195 | PHTHALIDE |
| FLAVIS Number | 10.056 | Phthalide |
| Flash point | 152 °C |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Crystalline Powder |
| color | White to light beige |
| Odor | at 100.00 %. sweet tonka coumarin powdery coconut phenolic lactonic |
| Odor Type | coumarinic |
| biological source | synthetic |
| Water Solubility | sparingly soluble |
| BRN | 114632 |
| Dielectric constant | 36.0(23℃) |
| InChI | 1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2 |
| InChIKey | WNZQDUSMALZDQF-UHFFFAOYSA-N |
| SMILES | O=C1OCc2ccccc12 |
| LogP | 0.99 |
| CAS DataBase Reference | 87-41-2(CAS DataBase Reference) |
| Substances Added to Food (formerly EAFUS) | PHTHALIDE |
| EWG's Food Scores | 1 |
| FDA UNII | 8VV922U86J |
| NIST Chemistry Reference | 1(3H)-Isobenzofuranone(87-41-2) |
| EPA Substance Registry System | Phthalide (87-41-2) |
| UNSPSC Code | 85151701 |
| NACRES | NA.24 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H319 | |||||||||
| Precautionary statements | P264-P280-P337+P313-P305+P351+P338 | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36-36/37/38 | |||||||||
| Safety Statements | 26-36-24/25-37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | TI3520000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 29322980 | |||||||||
| Storage Class | 13 - Non Combustible Solids | |||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704 |
|
Phthalide price More Price(56)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | P39605 | Phthalide 98% | 87-41-2 | 100g | $52.7 | 2026-04-30 | Buy |
| Sigma-Aldrich | 55906 | Phthalide analytical standard | 87-41-2 | 100mg | $67.8 | 2022-05-15 | Buy |
| TCI Chemical | P0401 | Phthalide >98.0%(GC) | 87-41-2 | 25g | $17 | 2026-04-30 | Buy |
| TCI Chemical | P0401 | Phthalide >98.0%(GC) | 87-41-2 | 500g | $90 | 2026-04-30 | Buy |
| TRC | TRC-P384525-50G | Phthalide | 87-41-2 | 50g | $195 | 2026-06-03 | Buy |
Phthalide Chemical Properties,Uses,Production
Description
White powder; sweet tonka, coumarin, powdery, coconut, phenolic, lactonic aroma.
Uses
Phthalide may be used in scaffolds for the design of high potency monoamine oxidase (MAO) inhibitors.
Definition
ChEBI: A gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group.
Aroma threshold values
Low strength odor, Tonka type.
Taste threshold values
Sweet coumarin, coconut, creamy, anisic, green vegetable, floral taste at 100 ppm in water.
Synthesis Reference(s)
Chemistry Letters, 23, p. 1149, 1994
The Journal of Organic Chemistry, 68, p. 9423, 2003 DOI: 10.1021/jo0350763
Tetrahedron Letters, 7, p. 6097, 1966
Flammability and Explosibility
Not classified
Pharmacology
Systemic fungicide giving effective preventive control of the rice blast fungus in rice as foliar spray.
Purification Methods
Crystallise phthalide from water (75mL/g) and dry it in air on filter paper. [Beilstein 17/10 V 7.]
Toxicity evaluation
Mammalian toxicology. Oral: Acute oral LD50 for rats and mice >10000 mg/kg. Skin and eye: Acute percutaneous LD50 for rats and mice >10000 mg/kg. Not a shaved skin irritant, eye irritant (rabbits). Inhalation LC50 (4 h) for rats >4.1 mg/L air. NOEL: (2 yr) for rats 2000, mice 100 mg/kg diet.
Phthalide Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
1of3
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Harvest Chemical Industrial Co., Ltd. | 15721252604 17321035817 | sales@harvest-chem.com | China | 2829 | 64 |
| Wuxi enqiao Pharmaceutical Technology Co., Ltd | 0510-83591909 18018392058 | info@enbridgepharm.com | China | 239 | 58 |
| Jinan Jinchi Pharmaceutical Technology Co., LTD | 15168890063 18888326116 | 76337143@qq.com | China | 64 | 58 |
| Xi'an Beckman Chemical Technology Co., Ltd. | 029-68065899;81136681 15309292692 | fangxianwen@xa-bkm.com | China | 56 | 58 |
| Dongyang Baihang Chemical Co., Ltd. | 0579-86886233 18006543966 | 355093164@qq.com | China | 113 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| 3B Pharmachem (Wuhan) International Co.,Ltd. | 18930552037 | 3bsc@sina.com | China | 15813 | 69 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
Related articles
- Synthesis of phthalide and its biological information
- Phthalide is a natural product found in Ligusticum sinense and Ligusticum chuanxiong with data available.
- Aug 25,2022
View Lastest Price from Phthalide manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-09-11 | Phthalide
87-41-2
|
1KG | 99% | 100mt | Jinan Finer Chemical Co., Ltd | ||
 |
2026-06-30 | Phthalide
87-41-2
|
1KG | 98.0% | 10000KGS | Shaanxi Dideu New Materials Co. Ltd | ||
 |
2026-05-28 | Phthalide
87-41-2
|
$10.50 | 1KG | 99.9% | 10 ton | Hebei Chuanghai Biotechnology Co,.LTD |
