| Identification | More | [Name]
Phthalide | [CAS]
87-41-2 | [Synonyms]
1,3-DIHYDROBENZO[C]FURAN-1-ONE
1(3H)-ISOBENZOFURANONE
1-ISOBENZOFURANONE
1-OXOPHTHALAN
1-PHTHALANONE
2-BENZOFURAN-(3H)-ONE
A-HYDROXY-O-TOLUIC ACID LACTONE
AKOS 243-03
BENZO(C)FURAN-2-ONE
ISOBENZOFURANONE
LABOTEST-BB LT00068498
O-HYDROXYMETHYLBENZOIC ACID LACTONE
OXOPHTHALANE
PHTHALIDE
SPECS AE-641/30105043
1,3-Dihydrobenzo[C]furan-2-one
2-Benzofuran-1(3H)-one
2-Hydroxymethylbenzoic acid, gamma-lactone
Phthalolactone
Phthalide99% | [EINECS(EC#)]
201-744-0 | [Molecular Formula]
C8H6O2 | [MDL Number]
MFCD00005906 | [Molecular Weight]
134.13 | [MOL File]
87-41-2.mol |
| Chemical Properties | Back Directory | [Appearance]
WHITE TO LIGHT BEIGE CRYSTALLINE POWDER | [Melting point ]
71-74 °C (lit.) | [Boiling point ]
290 °C (lit.) | [density ]
1.1 | [FEMA ]
4195 | [refractive index ]
1.5360 (estimate) | [Fp ]
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 | [Water Solubility ]
sparingly soluble | [BRN ]
114632 | [Dielectric constant]
36.0（23℃） | [InChIKey]
WNZQDUSMALZDQF-UHFFFAOYSA-N | [LogP]
0.99 | [CAS DataBase Reference]
87-41-2(CAS DataBase Reference) | [NIST Chemistry Reference]
1(3H)-Isobenzofuranone(87-41-2) | [EPA Substance Registry System]
87-41-2(EPA Substance) |
| Hazard Information | Back Directory | [Chemical Properties]
White powder; sweet tonka, coumarin, powdery, coconut, phenolic, lactonic aroma.
| [Description]
White powder; sweet tonka, coumarin, powdery, coconut, phenolic, lactonic aroma.
| [Chemical Properties]
WHITE TO LIGHT BEIGE CRYSTALLINE POWDER | [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]
Notclassified | [Pharmacology]
Systemic fungicide giving effective preventive
control of the rice blast fungus in rice as foliar spray. | [storage]
Store at -20°C | [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. |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36:Irritating to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
TI3520000
| [TSCA ]
Yes | [HS Code ]
29322980 |
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